N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide

C14H19ClN2O — CID 106738674

IUPACN-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCNC(C)C1
InChIInChI=1S/C14H19ClN2O/c1-9-7-12(15)3-4-13(9)17-14(18)11-5-6-16-10(2)8-11/h3-4,7,10-11,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyGFCQKWRSYRVJGR-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.98
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106738674) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
PubChem CID106738674
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCNC(C)C1
InChIInChI=1S/C14H19ClN2O/c1-9-7-12(15)3-4-13(9)17-14(18)11-5-6-16-10(2)8-11/h3-4,7,10-11,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyGFCQKWRSYRVJGR-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
(2S,4S)-N-(2,5-dimethylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615925
(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621169
(2S,4S)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620876
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
N-(2,6-dichloro-3-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738532
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-2-methyl-N-[2-methyl-4-(1-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 120630841
(2S,4S)-2-methyl-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120628608
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide (CID 106738674) is N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCNC(C)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is GFCQKWRSYRVJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-7-12(15)3-4-13(9)17-14(18)11-5-6-16-10(2)8-11/h3-4,7,10-11,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106738674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).