[(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate

C27H28N4O5 — CID 51929065

IUPAC[(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCOc1ccc(NC(=O)[C@@H](OC(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O5/c1-35-22-10-8-21(9-11-22)30-26(33)24(18-5-3-2-4-6-18)36-27(34)19-13-15-31(16-14-19)23-12-7-20(17-29-23)25(28)32/h2-12,17,19,24H,13-16H2,1H3,(H2,28,32)(H,30,33)/t24-/m0/s1
InChIKeyPULYRQDURRILMM-DEOSSOPVSA-N
MW488.54 g/mol
LogP3.33
Rot. Bonds8

About [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate

[(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 51929065) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
PubChem CID51929065
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name[(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCOc1ccc(NC(=O)[C@@H](OC(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O5/c1-35-22-10-8-21(9-11-22)30-26(33)24(18-5-3-2-4-6-18)36-27(34)19-13-15-31(16-14-19)23-12-7-20(17-29-23)25(28)32/h2-12,17,19,24H,13-16H2,1H3,(H2,28,32)(H,30,33)/t24-/m0/s1
InChIKeyPULYRQDURRILMM-DEOSSOPVSA-N
XLogP3.33
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate with MolForge

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24590694
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657741
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] cyclobutanecarboxylate
CID 8019081
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
CID 46644627
ethyl 1-[5-[[3-(4-methoxyphenyl)-4-methylphenyl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 59318099
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
1-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 83285222
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (3R)-1-acetylpiperidine-3-carboxylate
CID 37167913
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate (CID 51929065) is [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate is COc1ccc(NC(=O)[C@@H](OC(=O)C2CCN(c3ccc(C(N)=O)cn3)CC2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is PULYRQDURRILMM-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-35-22-10-8-21(9-11-22)30-26(33)24(18-5-3-2-4-6-18)36-27(34)19-13-15-31(16-14-19)23-12-7-20(17-29-23)25(28)32/h2-12,17,19,24H,13-16H2,1H3,(H2,28,32)(H,30,33)/t24-/m0/s1.
What are the key properties of [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
[(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 488.54 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 51929065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).