N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide

C14H16ClN3O — CID 47197271

IUPACN-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C14H16ClN3O/c1-10-3-2-6-18(9-10)14(19)17-12-5-4-11(8-16)13(15)7-12/h4-5,7,10H,2-3,6,9H2,1H3,(H,17,19)
InChIKeyLZBHKLFPWLTSJI-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.48
Rot. Bonds1

About N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide

N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 47197271) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
PubChem CID47197271
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C14H16ClN3O/c1-10-3-2-6-18(9-10)14(19)17-12-5-4-11(8-16)13(15)7-12/h4-5,7,10H,2-3,6,9H2,1H3,(H,17,19)
InChIKeyLZBHKLFPWLTSJI-UHFFFAOYSA-N
XLogP3.48
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599
1-[(3-chloro-4-cyanophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781746
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-(4-cyano-1H-pyrazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 79503954
2-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402252
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
N-(3-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335785

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide (CID 47197271) is N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is LZBHKLFPWLTSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-3-2-6-18(9-10)14(19)17-12-5-4-11(8-16)13(15)7-12/h4-5,7,10H,2-3,6,9H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide?
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 47197271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).