4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide

C24H23N3O3 — CID 139916865

IUPAC4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCC(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H23N3O3/c28-24(20-10-12-21(13-11-20)27(29)30)25-22-8-4-5-9-23(22)26-16-14-19(15-17-26)18-6-2-1-3-7-18/h1-13,19H,14-17H2,(H,25,28)
InChIKeyKPKOFLHUUGUSCQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.23
Rot. Bonds5

About 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide

4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide (PubChem CID 139916865) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide
PubChem CID139916865
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCC(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H23N3O3/c28-24(20-10-12-21(13-11-20)27(29)30)25-22-8-4-5-9-23(22)26-16-14-19(15-17-26)18-6-2-1-3-7-18/h1-13,19H,14-17H2,(H,25,28)
InChIKeyKPKOFLHUUGUSCQ-UHFFFAOYSA-N
XLogP5.23
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)phenyl]-4-nitrobenzamide
CID 139916933
N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2966063
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-(2-formylphenyl)-4-nitrobenzamide
CID 142750157
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 4939305
N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide
CID 126649145
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421990
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide (CID 139916865) is 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide is O=C(Nc1ccccc1N1CCC(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is KPKOFLHUUGUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-24(20-10-12-21(13-11-20)27(29)30)25-22-8-4-5-9-23(22)26-16-14-19(15-17-26)18-6-2-1-3-7-18/h1-13,19H,14-17H2,(H,25,28).
What are the key properties of 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide?
4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[2-(4-phenylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 139916865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).