1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C25H24N4O4 — CID 55829453

IUPAC1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1
InChIInChI=1S/C25H24N4O4/c1-17-7-5-13-26-24(17)27-25(31)20-10-6-14-28(16-20)21-12-11-19(15-22(21)29(32)33)23(30)18-8-3-2-4-9-18/h2-5,7-9,11-13,15,20H,6,10,14,16H2,1H3,(H,26,27,31)
InChIKeyHAVQERWZSBYOIM-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.38
Rot. Bonds6

About 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55829453) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55829453
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1
InChIInChI=1S/C25H24N4O4/c1-17-7-5-13-26-24(17)27-25(31)20-10-6-14-28(16-20)21-12-11-19(15-22(21)29(32)33)23(30)18-8-3-2-4-9-18/h2-5,7-9,11-13,15,20H,6,10,14,16H2,1H3,(H,26,27,31)
InChIKeyHAVQERWZSBYOIM-UHFFFAOYSA-N
XLogP4.38
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 35031896
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
[4-[3-(1-hydroxyethyl)piperidin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 133397814
[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 9311225
N-(3-hydroxy-2-pyridinyl)-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide
CID 46652921
[4-(3-methylpyrrolidin-1-yl)-3-nitrophenyl]-phenylmethanone
CID 86879062
1-(4-benzoyl-2-nitrophenyl)-N-methylpiperidine-4-carboxamide
CID 24567410
[3-nitro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]-phenylmethanone
CID 97014629
4-(4-methylpiperazin-4-ium-1-yl)-N-(3-methyl-2-pyridinyl)-3-nitrobenzamide
CID 7388415
N-(2-methylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 7892873
N-(3-methyl-2-pyridinyl)-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-3-carboxamide
CID 51101967
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 121070631

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55829453) is 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is HAVQERWZSBYOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-17-7-5-13-26-24(17)27-25(31)20-10-6-14-28(16-20)21-12-11-19(15-22(21)29(32)33)23(30)18-8-3-2-4-9-18/h2-5,7-9,11-13,15,20H,6,10,14,16H2,1H3,(H,26,27,31).
What are the key properties of 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoyl-2-nitrophenyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55829453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).