1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C19H28N2O2 — CID 53117140

IUPAC1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C)(C(=O)NCc2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-4-6-17(22)21-12-5-11-19(3,14-21)18(23)20-13-16-9-7-15(2)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H,20,23)
InChIKeyVXWQDLBCIQFPNN-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.04
Rot. Bonds5

About 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53117140) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID53117140
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C)(C(=O)NCc2ccc(C)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-4-6-17(22)21-12-5-11-19(3,14-21)18(23)20-13-16-9-7-15(2)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H,20,23)
InChIKeyVXWQDLBCIQFPNN-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 93071246
N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 53011171
(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide
CID 95088017
3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117136
(3R)-1-[3-(4-methoxyphenyl)propanoyl]-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087535
(3R)-N-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087491
(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087326
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117346
(3R)-1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087961
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 53117140) is 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is CCCC(=O)N1CCCC(C)(C(=O)NCc2ccc(C)cc2)C1.
What is the InChIKey of 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VXWQDLBCIQFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-6-17(22)21-12-5-11-19(3,14-21)18(23)20-13-16-9-7-15(2)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H,20,23).
What are the key properties of 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53117140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).