(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide

C20H18ClN3O2 — CID 9110672

IUPAC(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H18ClN3O2/c21-17-8-6-15(7-9-17)20(26)24-10-2-4-16(13-24)19(25)23-18-5-1-3-14(11-18)12-22/h1,3,5-9,11,16H,2,4,10,13H2,(H,23,25)/t16-/m0/s1
InChIKeyRKRZSIIRBZOPLC-INIZCTEOSA-N
MW367.84 g/mol
LogP3.70
Rot. Bonds3

About (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide

(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide (PubChem CID 9110672) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
PubChem CID9110672
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C20H18ClN3O2/c21-17-8-6-15(7-9-17)20(26)24-10-2-4-16(13-24)19(25)23-18-5-1-3-14(11-18)12-22/h1,3,5-9,11,16H,2,4,10,13H2,(H,23,25)/t16-/m0/s1
InChIKeyRKRZSIIRBZOPLC-INIZCTEOSA-N
XLogP3.70
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51271965
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-(4-chlorobenzoyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
CID 55597795
(3R)-1-(4-chlorobenzoyl)-N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 41076935
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3S)-1-(4-chlorobenzoyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-3-carboxamide
CID 40988245
N-(4-chlorophenyl)-1-(3-isocyanobenzoyl)piperidine-3-carboxamide
CID 153485736

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide (CID 9110672) is (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide is N#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide?
The InChIKey is RKRZSIIRBZOPLC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-17-8-6-15(7-9-17)20(26)24-10-2-4-16(13-24)19(25)23-18-5-1-3-14(11-18)12-22/h1,3,5-9,11,16H,2,4,10,13H2,(H,23,25)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide?
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 9110672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).