4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide

C24H29N3O3 — CID 95065357

IUPAC4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C24H29N3O3/c1-16-7-9-21(10-8-16)26-24(30)27-13-11-19(12-14-27)17(2)23(29)25-22-6-4-5-20(15-22)18(3)28/h4-10,15,17,19H,11-14H2,1-3H3,(H,25,29)(H,26,30)/t17-/m1/s1
InChIKeyAUCJRJOCVGAPDY-QGZVFWFLSA-N
MW407.51 g/mol
LogP4.72
Rot. Bonds5

About 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide

4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 95065357) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID95065357
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C24H29N3O3/c1-16-7-9-21(10-8-16)26-24(30)27-13-11-19(12-14-27)17(2)23(29)25-22-6-4-5-20(15-22)18(3)28/h4-10,15,17,19H,11-14H2,1-3H3,(H,25,29)(H,26,30)/t17-/m1/s1
InChIKeyAUCJRJOCVGAPDY-QGZVFWFLSA-N
XLogP4.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]propanoylamino]benzoate
CID 53057988
4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 46295328
4-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065281
4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 53057885
N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057941
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065297
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
N-(3-acetylphenyl)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 53119060
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95065481

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 95065357) is 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide is CC(=O)c1cccc(NC(=O)[C@H](C)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1.
What is the InChIKey of 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is AUCJRJOCVGAPDY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16-7-9-21(10-8-16)26-24(30)27-13-11-19(12-14-27)17(2)23(29)25-22-6-4-5-20(15-22)18(3)28/h4-10,15,17,19H,11-14H2,1-3H3,(H,25,29)(H,26,30)/t17-/m1/s1.
What are the key properties of 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide?
4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95065357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).