N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide

C16H22N2O2 — CID 62124695

IUPACN-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCCC(C)C2C)c1
InChIInChI=1S/C16H22N2O2/c1-11-6-5-9-18(12(11)2)16(20)17-15-8-4-7-14(10-15)13(3)19/h4,7-8,10-12H,5-6,9H2,1-3H3,(H,17,20)
InChIKeyIQLCMPUKDBIVDK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.54
Rot. Bonds2

About N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide

N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide (PubChem CID 62124695) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
PubChem CID62124695
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCCC(C)C2C)c1
InChIInChI=1S/C16H22N2O2/c1-11-6-5-9-18(12(11)2)16(20)17-15-8-4-7-14(10-15)13(3)19/h4,7-8,10-12H,5-6,9H2,1-3H3,(H,17,20)
InChIKeyIQLCMPUKDBIVDK-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102776316
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
2-chloro-5-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123451
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 1443364
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide (CID 62124695) is N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCCC(C)C2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide?
The InChIKey is IQLCMPUKDBIVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-6-5-9-18(12(11)2)16(20)17-15-8-4-7-14(10-15)13(3)19/h4,7-8,10-12H,5-6,9H2,1-3H3,(H,17,20).
What are the key properties of N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide?
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 62124695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).