4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide

C24H29N5O4 — CID 55502038

IUPAC4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C24H29N5O4/c30-23(21-17-20(29(32)33)9-10-22(21)27-13-5-2-6-14-27)25-19-11-15-28(16-12-19)24(31)26-18-7-3-1-4-8-18/h1,3-4,7-10,17,19H,2,5-6,11-16H2,(H,25,30)(H,26,31)
InChIKeyOXBLNMNTJXCERH-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.01
Rot. Bonds5

About 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide

4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 55502038) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide
PubChem CID55502038
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C24H29N5O4/c30-23(21-17-20(29(32)33)9-10-22(21)27-13-5-2-6-14-27)25-19-11-15-28(16-12-19)24(31)26-18-7-3-1-4-8-18/h1,3-4,7-10,17,19H,2,5-6,11-16H2,(H,25,30)(H,26,31)
InChIKeyOXBLNMNTJXCERH-UHFFFAOYSA-N
XLogP4.01
TPSA107.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-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-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9279009
1-[1-(2,4-dinitrophenyl)piperidin-4-yl]-3-phenylurea
CID 60570399
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
N'-(cyclohexanecarbonyl)-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9272405
N-(2-bromophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 26913690
N-naphthalen-2-yl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9068527
1-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]-N-phenylpiperidine-3-carboxamide
CID 42924924
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 37162780
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 31361844
2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-[(4-nitrophenyl)carbamoylamino]benzamide
CID 42757368

Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide (CID 55502038) is 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1.
What is the InChIKey of 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is OXBLNMNTJXCERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c30-23(21-17-20(29(32)33)9-10-22(21)27-13-5-2-6-14-27)25-19-11-15-28(16-12-19)24(31)26-18-7-3-1-4-8-18/h1,3-4,7-10,17,19H,2,5-6,11-16H2,(H,25,30)(H,26,31).
What are the key properties of 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 55502038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).