1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide

C26H35N3O2 — CID 52538543

IUPAC1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C26H35N3O2/c1-18(2)20(4)27-25(30)22-14-16-29(17-15-22)24(21-8-6-5-7-9-21)26(31)28-23-12-10-19(3)11-13-23/h5-13,18,20,22,24H,14-17H2,1-4H3,(H,27,30)(H,28,31)/t20-,24-/m1/s1
InChIKeyZDMCHGBQXPSEAK-HYBUGGRVSA-N
MW421.59 g/mol
LogP4.55
Rot. Bonds7

About 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide

1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 52538543) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
PubChem CID52538543
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C26H35N3O2/c1-18(2)20(4)27-25(30)22-14-16-29(17-15-22)24(21-8-6-5-7-9-21)26(31)28-23-12-10-19(3)11-13-23/h5-13,18,20,22,24H,14-17H2,1-4H3,(H,27,30)(H,28,31)/t20-,24-/m1/s1
InChIKeyZDMCHGBQXPSEAK-HYBUGGRVSA-N
XLogP4.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
1-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227219
1-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41227222
1-[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 41112937
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55815883
(3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9304552
1-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]-N-pentylpiperidine-4-carboxamide
CID 55828595
N-[4-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 56573573
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 43062016
N-(3,5-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 51167515
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 30126358

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide (CID 52538543) is 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide is Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1.
What is the InChIKey of 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is ZDMCHGBQXPSEAK-HYBUGGRVSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-18(2)20(4)27-25(30)22-14-16-29(17-15-22)24(21-8-6-5-7-9-21)26(31)28-23-12-10-19(3)11-13-23/h5-13,18,20,22,24H,14-17H2,1-4H3,(H,27,30)(H,28,31)/t20-,24-/m1/s1.
What are the key properties of 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide?
1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 52538543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).