1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide

C16H21ClN2O2 — CID 110686145

IUPAC1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2c(C)cc(C)cc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c1-10-7-11(2)15(14(17)8-10)18-16(21)13-5-4-6-19(9-13)12(3)20/h7-8,13H,4-6,9H2,1-3H3,(H,18,21)
InChIKeyNLDXAESSOZIUBY-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.15
Rot. Bonds2

About 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide

1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 110686145) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
PubChem CID110686145
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2c(C)cc(C)cc2Cl)C1
InChIInChI=1S/C16H21ClN2O2/c1-10-7-11(2)15(14(17)8-10)18-16(21)13-5-4-6-19(9-13)12(3)20/h7-8,13H,4-6,9H2,1-3H3,(H,18,21)
InChIKeyNLDXAESSOZIUBY-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
N-(2-chloro-4,6-dimethylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132291
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131910
1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
CID 110686178
1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144573
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026146
4-(3-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109150065
N-(2-aminoethyl)-1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 119917202
N-(2,6-dichlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3428690
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 40726995

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide (CID 110686145) is 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2c(C)cc(C)cc2Cl)C1.
What is the InChIKey of 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is NLDXAESSOZIUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-10-7-11(2)15(14(17)8-10)18-16(21)13-5-4-6-19(9-13)12(3)20/h7-8,13H,4-6,9H2,1-3H3,(H,18,21).
What are the key properties of 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide?
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 110686145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).