N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide

C15H21ClN2O — CID 108987995

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-4-6-18(7-5-10)15(19)17-14-12(3)8-11(2)9-13(14)16/h8-10H,4-7H2,1-3H3,(H,17,19)
InChIKeyZIJYWQFXWJJPAT-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.22
Rot. Bonds1

About N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 108987995) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
PubChem CID108987995
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-4-6-18(7-5-10)15(19)17-14-12(3)8-11(2)9-13(14)16/h8-10H,4-7H2,1-3H3,(H,17,19)
InChIKeyZIJYWQFXWJJPAT-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
CID 108988438
N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 113104629
N-(2-chloro-4,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110807
3,5-dichloro-4-[(3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 82832976
N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide
CID 171916668
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275114
N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990335
N-(2-chloro-4,6-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152555
[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152635
N-(2-chloro-4,6-dimethylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113392
N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990890
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide (CID 108987995) is N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide is Cc1cc(C)c(NC(=O)N2CCC(C)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is ZIJYWQFXWJJPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-4-6-18(7-5-10)15(19)17-14-12(3)8-11(2)9-13(14)16/h8-10H,4-7H2,1-3H3,(H,17,19).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108987995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).