General Information of the Compound
Compound ID
CP0402053
Compound Name
N-phenyl-N-piperidin-4-ylpropanamide
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Structure
Formula
C14H20N2O
Molecular Weight
232.327
Canonical SMILES
CCC(=O)N(C1CCNCC1)c1ccccc1
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InChI
InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3
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InChIKey
PMCBDBWCQQBSRJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.1816
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 259381
SID: 87219345
ChEMBL ID
CHEMBL3560524
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Km = 7700 nM
   TI
   LI
   LO
   TS
Protein ID: PT06607, Solute carrier family 22 member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Km = 49100 nM
   TI
   LI
   LO
   TS