1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C21H22ClN3O — CID 133356428

IUPAC1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3c(Cl)cccc3C#N)CC2)cc1
InChIInChI=1S/C21H22ClN3O/c1-15-5-7-16(8-6-15)14-24-21(26)17-9-11-25(12-10-17)20-18(13-23)3-2-4-19(20)22/h2-8,17H,9-12,14H2,1H3,(H,24,26)
InChIKeyDFGKJSNLAFMQHK-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.05
Rot. Bonds4

About 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 133356428) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID133356428
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(c3c(Cl)cccc3C#N)CC2)cc1
InChIInChI=1S/C21H22ClN3O/c1-15-5-7-16(8-6-15)14-24-21(26)17-9-11-25(12-10-17)20-18(13-23)3-2-4-19(20)22/h2-8,17H,9-12,14H2,1H3,(H,24,26)
InChIKeyDFGKJSNLAFMQHK-UHFFFAOYSA-N
XLogP4.05
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-cyano-2-pyridinyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356309
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
3-chloro-2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]benzonitrile
CID 133436824
1-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109148526
1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759304
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
methyl 2-[4-(2-chloro-6-cyanophenyl)piperazin-1-yl]acetate
CID 133333954
1-(3-cyanoquinolin-4-yl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133317144
N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906850

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 133356428) is 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(c3c(Cl)cccc3C#N)CC2)cc1.
What is the InChIKey of 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DFGKJSNLAFMQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-15-5-7-16(8-6-15)14-24-21(26)17-9-11-25(12-10-17)20-18(13-23)3-2-4-19(20)22/h2-8,17H,9-12,14H2,1H3,(H,24,26).
What are the key properties of 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-cyanophenyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133356428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).