(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C22H26N2O2 — CID 51937253

IUPAC(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C22H26N2O2/c1-16-10-11-17(2)20(13-16)23-22(26)19-9-6-12-24(15-19)21(25)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyDQADRBUNTYZXPU-IBGZPJMESA-N
MW350.46 g/mol
LogP3.72
Rot. Bonds4

About (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 51937253) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID51937253
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C22H26N2O2/c1-16-10-11-17(2)20(13-16)23-22(26)19-9-6-12-24(15-19)21(25)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyDQADRBUNTYZXPU-IBGZPJMESA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607859
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 51937253) is (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1.
What is the InChIKey of (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is DQADRBUNTYZXPU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-10-11-17(2)20(13-16)23-22(26)19-9-6-12-24(15-19)21(25)14-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,19H,6,9,12,14-15H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 51937253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).