N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide

C25H28N4O6 — CID 3523746

IUPACN-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)C(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc2=O)CC1
InChIInChI=1S/C25H28N4O6/c30-21-10-3-4-13-28(21)22(23(31)18-6-5-9-20(16-18)29(34)35)25(33)27-14-11-17(12-15-27)24(32)26-19-7-1-2-8-19/h3-6,9-10,13,16-17,19,22H,1-2,7-8,11-12,14-15H2,(H,26,32)
InChIKeyVPQZYHIYIWMMTE-UHFFFAOYSA-N
MW480.52 g/mol
LogP2.48
Rot. Bonds7

About N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide

N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide (PubChem CID 3523746) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide
PubChem CID3523746
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC NameN-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)C(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc2=O)CC1
InChIInChI=1S/C25H28N4O6/c30-21-10-3-4-13-28(21)22(23(31)18-6-5-9-20(16-18)29(34)35)25(33)27-14-11-17(12-15-27)24(32)26-19-7-1-2-8-19/h3-6,9-10,13,16-17,19,22H,1-2,7-8,11-12,14-15H2,(H,26,32)
InChIKeyVPQZYHIYIWMMTE-UHFFFAOYSA-N
XLogP2.48
TPSA131.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-piperidin-1-ylpropane-1,3-dione
CID 3160489
1-(4-methylpiperidin-1-yl)-3-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione
CID 51361843
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-(3-nitrophenyl)-3-oxopropanamide
CID 7279155
(2R)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
CID 41165207
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(2-oxo-1-pyridinyl)-3-phenylpropane-1,3-dione
CID 3437654
1-(4-benzhydrylpiperazin-1-yl)-2-(5-bromo-2-oxo-1-pyridinyl)-3-(3-nitrophenyl)propane-1,3-dione
CID 4118063
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 3920071
1-(2-chloro-5-nitrophenyl)sulfonyl-N-cyclopentylpiperidine-4-carboxamide
CID 4798614
N-cyclohexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26912952
N-cyclopropyl-1-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 55903130
N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817993
N-[(2S)-1-[(4R)-4-methylazepan-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 94825191

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide (CID 3523746) is N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(C(=O)C(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc2=O)CC1.
What is the InChIKey of N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is VPQZYHIYIWMMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6/c30-21-10-3-4-13-28(21)22(23(31)18-6-5-9-20(16-18)29(34)35)25(33)27-14-11-17(12-15-27)24(32)26-19-7-1-2-8-19/h3-6,9-10,13,16-17,19,22H,1-2,7-8,11-12,14-15H2,(H,26,32).
What are the key properties of N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide?
N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 3523746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).