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

C18H18N4O5 — CID 51133275

IUPAC4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C18H18N4O5/c23-16-6-1-3-13(11-16)17(24)20-7-9-21(10-8-20)18(25)19-14-4-2-5-15(12-14)22(26)27/h1-6,11-12,23H,7-10H2,(H,19,25)
InChIKeyIGWDIJAUDFOABD-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.29
Rot. Bonds3

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

4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide (PubChem CID 51133275) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
PubChem CID51133275
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C18H18N4O5/c23-16-6-1-3-13(11-16)17(24)20-7-9-21(10-8-20)18(25)19-14-4-2-5-15(12-14)22(26)27/h1-6,11-12,23H,7-10H2,(H,19,25)
InChIKeyIGWDIJAUDFOABD-UHFFFAOYSA-N
XLogP2.29
TPSA116.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.29
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-(3-methylphenyl)-4-(3-nitrobenzoyl)piperazine-1-carboxamide
CID 49467498
4-(3-methoxy-4-methylbenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 47049545
4-(2-hydroxyphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 27869268
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
4-(2-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 31771873
4-(2-nitrophenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 55697312
4-(3-hydroxyphenyl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 78819250
4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
CID 60971014
N-(3-nitrophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide
CID 7470040
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029
4-(3-nitrobenzoyl)piperazine-1-carbaldehyde
CID 774429

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide (CID 51133275) is 4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is IGWDIJAUDFOABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c23-16-6-1-3-13(11-16)17(24)20-7-9-21(10-8-20)18(25)19-14-4-2-5-15(12-14)22(26)27/h1-6,11-12,23H,7-10H2,(H,19,25).
What are the key properties of 4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide?
4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51133275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).