N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide

C17H18N4O3 — CID 2984447

IUPACN-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N4O3/c22-17(18-14-5-4-8-16(13-14)21(23)24)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,18,22)
InChIKeyUUKQMYQAHYFDEM-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.95
Rot. Bonds3

About N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide

N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 2984447) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide
PubChem CID2984447
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N4O3/c22-17(18-14-5-4-8-16(13-14)21(23)24)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,18,22)
InChIKeyUUKQMYQAHYFDEM-UHFFFAOYSA-N
XLogP2.95
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.95
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

Amocarzine
CID 5464102
1-(3-Nitrophenyl)-3-phenylurea
CID 302800
1,3-Bis(3-nitrophenyl)urea
CID 237811
1-(3-Nitrophenyl)piperazine
CID 2760216
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
N-(2-Nitrophenyl)-N'-[3-(1-pyrrolidinyl)propyl]urea
CID 2968203
N-[2-(dimethylamino)ethyl]-N'-(4-nitrophenyl)urea
CID 2954811
N-(4-nitrophenyl)piperidine-1-carboxamide
CID 270383
N-(4-nitrophenyl)-4-phenylpiperazine-1-carbothioamide
CID 2897715
1,1-Dibenzyl-3-(3-nitrophenyl)urea
CID 4415058
3-methyl-4-(4-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 2955798
N-benzyl-N'-{2-[4-(4-nitrophenyl)-1-piperazinyl]ethyl}urea
CID 2958236

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide (CID 2984447) is N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is UUKQMYQAHYFDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-17(18-14-5-4-8-16(13-14)21(23)24)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,18,22).
What are the key properties of N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide?
N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 2984447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).