1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide

C21H22ClN3O — CID 43921795

IUPAC1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CCCN(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H22ClN3O/c22-19-7-3-17(4-8-19)14-25-13-1-2-18(15-25)21(26)24-20-9-5-16(6-10-20)11-12-23/h3-10,18H,1-2,11,13-15H2,(H,24,26)
InChIKeyYSNRGBIMYKMKRI-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.26
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide (PubChem CID 43921795) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
PubChem CID43921795
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
SMILESN#CCc1ccc(NC(=O)C2CCCN(Cc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H22ClN3O/c22-19-7-3-17(4-8-19)14-25-13-1-2-18(15-25)21(26)24-20-9-5-16(6-10-20)11-12-23/h3-10,18H,1-2,11,13-15H2,(H,24,26)
InChIKeyYSNRGBIMYKMKRI-UHFFFAOYSA-N
XLogP4.26
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43933299
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875
1-[(4-chlorophenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide
CID 43922462
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
N-[4-(cyanomethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50946331
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
ethyl 1-[4-[[1-[(4-chlorophenyl)methyl]piperidine-3-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 133159210

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide (CID 43921795) is 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide is N#CCc1ccc(NC(=O)C2CCCN(Cc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is YSNRGBIMYKMKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-19-7-3-17(4-8-19)14-25-13-1-2-18(15-25)21(26)24-20-9-5-16(6-10-20)11-12-23/h3-10,18H,1-2,11,13-15H2,(H,24,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).