1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C24H30N2O3 — CID 53011146

IUPAC1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCCC(C)(C(=O)NCc2ccccc2C)C1
InChIInChI=1S/C24H30N2O3/c1-4-29-21-13-8-7-12-20(21)22(27)26-15-9-14-24(3,17-26)23(28)25-16-19-11-6-5-10-18(19)2/h5-8,10-13H,4,9,14-17H2,1-3H3,(H,25,28)
InChIKeyTVEBMLSLQQYEKD-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.95
Rot. Bonds6

About 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53011146) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID53011146
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCCC(C)(C(=O)NCc2ccccc2C)C1
InChIInChI=1S/C24H30N2O3/c1-4-29-21-13-8-7-12-20(21)22(27)26-15-9-14-24(3,17-26)23(28)25-16-19-11-6-5-10-18(19)2/h5-8,10-13H,4,9,14-17H2,1-3H3,(H,25,28)
InChIKeyTVEBMLSLQQYEKD-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117030
(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087666
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117054
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117240
(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 93071343
(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide
CID 95087546
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
(3S)-1-(2-bromobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087303
(2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
CID 131678940

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 53011146) is 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is CCOc1ccccc1C(=O)N1CCCC(C)(C(=O)NCc2ccccc2C)C1.
What is the InChIKey of 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is TVEBMLSLQQYEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-29-21-13-8-7-12-20(21)22(27)26-15-9-14-24(3,17-26)23(28)25-16-19-11-6-5-10-18(19)2/h5-8,10-13H,4,9,14-17H2,1-3H3,(H,25,28).
What are the key properties of 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53011146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).