1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide

C27H29N3O3 — CID 41183176

IUPAC1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(19-24)29-27(32)25(20-9-4-2-5-10-20)30-17-15-21(16-18-30)26(31)28-22-11-6-3-7-12-22/h2-14,19,21,25H,15-18H2,1H3,(H,28,31)(H,29,32)/t25-/m0/s1
InChIKeyRELUVUUCVNJDQH-VWLOTQADSA-N
MW443.55 g/mol
LogP4.73
Rot. Bonds7

About 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide

1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 41183176) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID41183176
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(19-24)29-27(32)25(20-9-4-2-5-10-20)30-17-15-21(16-18-30)26(31)28-22-11-6-3-7-12-22/h2-14,19,21,25H,15-18H2,1H3,(H,28,31)(H,29,32)/t25-/m0/s1
InChIKeyRELUVUUCVNJDQH-VWLOTQADSA-N
XLogP4.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
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-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 95785630
N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469591
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 17490845
N-[4-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]cyclopropanecarboxamide
CID 56573573
N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901476

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide (CID 41183176) is 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide is COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is RELUVUUCVNJDQH-VWLOTQADSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-24-14-8-13-23(19-24)29-27(32)25(20-9-4-2-5-10-20)30-17-15-21(16-18-30)26(31)28-22-11-6-3-7-12-22/h2-14,19,21,25H,15-18H2,1H3,(H,28,31)(H,29,32)/t25-/m0/s1.
What are the key properties of 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide?
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 41183176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).