(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide

C22H26N2O2 — CID 94082527

IUPAC(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-17-9-11-20(12-10-17)23-21(25)19-8-5-13-24(15-19)22(26)18-7-4-6-16(2)14-18/h4,6-7,9-12,14,19H,3,5,8,13,15H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyKFOODQILBCRQJX-IBGZPJMESA-N
MW350.46 g/mol
LogP4.05
Rot. Bonds4

About (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide

(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 94082527) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
PubChem CID94082527
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C)c3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-17-9-11-20(12-10-17)23-21(25)19-8-5-13-24(15-19)22(26)18-7-4-6-16(2)14-18/h4,6-7,9-12,14,19H,3,5,8,13,15H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyKFOODQILBCRQJX-IBGZPJMESA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1-(4-methylbenzoyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55970448
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide (CID 94082527) is (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide is CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C)c3)C2)cc1.
What is the InChIKey of (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is KFOODQILBCRQJX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-17-9-11-20(12-10-17)23-21(25)19-8-5-13-24(15-19)22(26)18-7-4-6-16(2)14-18/h4,6-7,9-12,14,19H,3,5,8,13,15H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide?
(3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).