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

C17H18N4O4 — CID 78819250

IUPAC4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C17H18N4O4/c22-16-3-1-2-15(12-16)19-8-10-20(11-9-19)17(23)18-13-4-6-14(7-5-13)21(24)25/h1-7,12,22H,8-11H2,(H,18,23)
InChIKeyMJXDSPTWBFWHSD-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.65
Rot. Bonds3

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

4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 78819250) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID78819250
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C17H18N4O4/c22-16-3-1-2-15(12-16)19-8-10-20(11-9-19)17(23)18-13-4-6-14(7-5-13)21(24)25/h1-7,12,22H,8-11H2,(H,18,23)
InChIKeyMJXDSPTWBFWHSD-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

N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 4991386
4-(4-nitrophenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583638
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27231869
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 25348923
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)-4-oxobutanamide
CID 3499855
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
N,4-bis(4-nitrophenyl)piperazine-1-carbothioamide
CID 3463932
N-(2,3-dimethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3839304
4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 51133275
propyl 4-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]benzoate
CID 47040005
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide (CID 78819250) is 4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is MJXDSPTWBFWHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-16-3-1-2-15(12-16)19-8-10-20(11-9-19)17(23)18-13-4-6-14(7-5-13)21(24)25/h1-7,12,22H,8-11H2,(H,18,23).
What are the key properties of 4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide?
4-(3-hydroxyphenyl)-N-(4-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-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 78819250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).