4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide

C17H18N4O4 — CID 27869268

IUPAC4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H18N4O4/c22-16-7-2-1-6-15(16)19-8-10-20(11-9-19)17(23)18-13-4-3-5-14(12-13)21(24)25/h1-7,12,22H,8-11H2,(H,18,23)
InChIKeyVIQHFSXMILJAOW-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.65
Rot. Bonds3

About 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide

4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide (PubChem CID 27869268) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
PubChem CID27869268
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H18N4O4/c22-16-7-2-1-6-15(16)19-8-10-20(11-9-19)17(23)18-13-4-3-5-14(12-13)21(24)25/h1-7,12,22H,8-11H2,(H,18,23)
InChIKeyVIQHFSXMILJAOW-UHFFFAOYSA-N
XLogP2.65
TPSA98.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(2-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 31771873
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
N-(3-nitrophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide
CID 7470040
4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 51133275
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-nitrophenyl)-2-oxoacetamide
CID 45001002
4-(2-nitrophenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 55697312
4-[(2-fluorophenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 24626867
N-[3-(dimethylsulfamoyl)phenyl]-4-(2-nitrophenyl)piperazine-1-carboxamide
CID 55696307
4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
CID 60971014
(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
CID 32840083
N-(3-methylphenyl)-4-(3-nitrobenzoyl)piperazine-1-carboxamide
CID 49467498
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8726302

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide (CID 27869268) is 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is VIQHFSXMILJAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-16-7-2-1-6-15(16)19-8-10-20(11-9-19)17(23)18-13-4-3-5-14(12-13)21(24)25/h1-7,12,22H,8-11H2,(H,18,23).
What are the key properties of 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide?
4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 27869268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).