1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide

C16H22N2O2 — CID 110686080

IUPAC1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-13(19)18-10-6-9-15(12-18)16(20)17(2)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3
InChIKeyYGAVFBAFSLFEHC-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.90
Rot. Bonds3

About 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide

1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide (PubChem CID 110686080) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
PubChem CID110686080
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-13(19)18-10-6-9-15(12-18)16(20)17(2)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3
InChIKeyYGAVFBAFSLFEHC-UHFFFAOYSA-N
XLogP1.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 51939813
1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 136524417
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280
N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616
N-benzyl-N-methyl-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132195
(3R)-3-N-methyl-3-N-(naphthalen-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 94406394
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131814
(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 126397995
1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 47019411
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 131709262
N-benzyl-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5110733

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide (CID 110686080) is 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)N(C)Cc2ccccc2)C1.
What is the InChIKey of 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide?
The InChIKey is YGAVFBAFSLFEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(19)18-10-6-9-15(12-18)16(20)17(2)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3.
What are the key properties of 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide?
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 110686080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).