1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide

C15H19ClN2O2 — CID 47118469

IUPAC1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cc2C)C1
InChIInChI=1S/C15H19ClN2O2/c1-10-8-13(16)5-6-14(10)17-15(20)12-4-3-7-18(9-12)11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyNNOXBFOOUZOCOL-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.85
Rot. Bonds2

About 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide

1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 47118469) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
PubChem CID47118469
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cc2C)C1
InChIInChI=1S/C15H19ClN2O2/c1-10-8-13(16)5-6-14(10)17-15(20)12-4-3-7-18(9-12)11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyNNOXBFOOUZOCOL-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
CID 110686178
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150076
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
N-(4-chloro-2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132288
1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 5108975
(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780070
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide (CID 47118469) is 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cc2C)C1.
What is the InChIKey of 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is NNOXBFOOUZOCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-8-13(16)5-6-14(10)17-15(20)12-4-3-7-18(9-12)11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,20).
What are the key properties of 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide?
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 47118469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).