1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide

C24H30N2O3 — CID 55794251

IUPAC1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-4-29-22-9-5-7-19(14-22)15-25-23(27)20-8-6-10-26(16-20)24(28)21-12-17(2)11-18(3)13-21/h5,7,9,11-14,20H,4,6,8,10,15-16H2,1-3H3,(H,25,27)
InChIKeyWVHXEQABQQYSDN-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.87
Rot. Bonds6

About 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 55794251) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID55794251
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-4-29-22-9-5-7-19(14-22)15-25-23(27)20-8-6-10-26(16-20)24(28)21-12-17(2)11-18(3)13-21/h5,7,9,11-14,20H,4,6,8,10,15-16H2,1-3H3,(H,25,27)
InChIKeyWVHXEQABQQYSDN-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3,4,5-triethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082756
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
1-(3,5-dimethylbenzoyl)-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 55792207
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide (CID 55794251) is 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide is CCOc1cccc(CNC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WVHXEQABQQYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-29-22-9-5-7-19(14-22)15-25-23(27)20-8-6-10-26(16-20)24(28)21-12-17(2)11-18(3)13-21/h5,7,9,11-14,20H,4,6,8,10,15-16H2,1-3H3,(H,25,27).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55794251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).