[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate

C27H26N4O5 — CID 24590694

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
SMILESNC(=O)c1ccc(N2CCC(C(=O)OCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)nc1
InChIInChI=1S/C27H26N4O5/c28-25(33)21-8-11-24(29-16-21)31-14-12-20(13-15-31)27(35)36-17-23(32)18-6-9-22(10-7-18)30-26(34)19-4-2-1-3-5-19/h1-11,16,20H,12-15,17H2,(H2,28,33)(H,30,34)
InChIKeyXRXBBZGOMQHJCV-UHFFFAOYSA-N
MW486.53 g/mol
LogP3.08
Rot. Bonds8

About [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate

[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 24590694) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
PubChem CID24590694
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
SMILESNC(=O)c1ccc(N2CCC(C(=O)OCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)nc1
InChIInChI=1S/C27H26N4O5/c28-25(33)21-8-11-24(29-16-21)31-14-12-20(13-15-31)27(35)36-17-23(32)18-6-9-22(10-7-18)30-26(34)19-4-2-1-3-5-19/h1-11,16,20H,12-15,17H2,(H2,28,33)(H,30,34)
InChIKeyXRXBBZGOMQHJCV-UHFFFAOYSA-N
XLogP3.08
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate with MolForge

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
CID 7489555
[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600768
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657763
ethyl 1-[5-[(3-methyl-4-phenylphenyl)carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 59318171
[(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 51929065
naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657741
[2-(4-benzamidophenyl)-2-oxoethyl] (1S,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50985750
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657765
N-(4-phenylmethoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
CID 109152321

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate (CID 24590694) is [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate is NC(=O)c1ccc(N2CCC(C(=O)OCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)CC2)nc1.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is XRXBBZGOMQHJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c28-25(33)21-8-11-24(29-16-21)31-14-12-20(13-15-31)27(35)36-17-23(32)18-6-9-22(10-7-18)30-26(34)19-4-2-1-3-5-19/h1-11,16,20H,12-15,17H2,(H2,28,33)(H,30,34).
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 486.53 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 24590694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).