N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide

C24H30N4O5S — CID 3230706

IUPACN-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C24H30N4O5S/c29-24(25-21-11-13-26(14-12-21)18-19-5-2-1-3-6-19)20-9-15-27(16-10-20)34(32,33)23-8-4-7-22(17-23)28(30)31/h1-8,17,20-21H,9-16,18H2,(H,25,29)
InChIKeyGTZWHXXSKCXMMW-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.78
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 3230706) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID3230706
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C24H30N4O5S/c29-24(25-21-11-13-26(14-12-21)18-19-5-2-1-3-6-19)20-9-15-27(16-10-20)34(32,33)23-8-4-7-22(17-23)28(30)31/h1-8,17,20-21H,9-16,18H2,(H,25,29)
InChIKeyGTZWHXXSKCXMMW-UHFFFAOYSA-N
XLogP2.78
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.78
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 N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide (CID 3230706) is N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is GTZWHXXSKCXMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c29-24(25-21-11-13-26(14-12-21)18-19-5-2-1-3-6-19)20-9-15-27(16-10-20)34(32,33)23-8-4-7-22(17-23)28(30)31/h1-8,17,20-21H,9-16,18H2,(H,25,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(3-nitrophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3230706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).