N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide

C14H19ClN2O — CID 113368554

IUPACN-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1(C)CCCCN1
InChIInChI=1S/C14H19ClN2O/c1-10-5-6-11(15)9-12(10)17-13(18)14(2)7-3-4-8-16-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyOCVPJOLRDUHAEY-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.12
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide

N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 113368554) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
PubChem CID113368554
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1(C)CCCCN1
InChIInChI=1S/C14H19ClN2O/c1-10-5-6-11(15)9-12(10)17-13(18)14(2)7-3-4-8-16-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyOCVPJOLRDUHAEY-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
2-methyl-N-(4-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 113368673
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
CID 134400651
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide
CID 104596304
N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368545
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597189
N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 104596248

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide (CID 113368554) is N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1(C)CCCCN1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is OCVPJOLRDUHAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-5-6-11(15)9-12(10)17-13(18)14(2)7-3-4-8-16-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide?
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 113368554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).