1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide

C23H28N2O2 — CID 46489523

IUPAC1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-4-18-7-9-21(10-8-18)24-22(26)19-6-5-11-25(15-19)23(27)20-13-16(2)12-17(3)14-20/h7-10,12-14,19H,4-6,11,15H2,1-3H3,(H,24,26)
InChIKeyCJQNXBIKTOCICN-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.36
Rot. Bonds4

About 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide (PubChem CID 46489523) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
PubChem CID46489523
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C23H28N2O2/c1-4-18-7-9-21(10-8-18)24-22(26)19-6-5-11-25(15-19)23(27)20-13-16(2)12-17(3)14-20/h7-10,12-14,19H,4-6,11,15H2,1-3H3,(H,24,26)
InChIKeyCJQNXBIKTOCICN-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082527
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
S-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56544317
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
CID 55626981
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide (CID 46489523) is 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide is CCc1ccc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)cc1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is CJQNXBIKTOCICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-18-7-9-21(10-8-18)24-22(26)19-6-5-11-25(15-19)23(27)20-13-16(2)12-17(3)14-20/h7-10,12-14,19H,4-6,11,15H2,1-3H3,(H,24,26).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46489523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).