N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide

C24H24N4O4 — CID 28689246

IUPACN-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide
SMILESO=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N4O4/c29-24(19-6-9-21(10-7-19)32-17-18-4-2-1-3-5-18)26-20-8-11-22(23(16-20)28(30)31)27-14-12-25-13-15-27/h1-11,16,25H,12-15,17H2,(H,26,29)
InChIKeyADHRWAMOEXCIPI-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.84
Rot. Bonds7

About N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide

N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide (PubChem CID 28689246) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide
PubChem CID28689246
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide
SMILESO=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H24N4O4/c29-24(19-6-9-21(10-7-19)32-17-18-4-2-1-3-5-18)26-20-8-11-22(23(16-20)28(30)31)27-14-12-25-13-15-27/h1-11,16,25H,12-15,17H2,(H,26,29)
InChIKeyADHRWAMOEXCIPI-UHFFFAOYSA-N
XLogP3.84
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689107
2-nitro-4-[(4-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 139779417
2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689238
N-(3-nitro-4-piperazin-1-ylphenyl)pyridine-3-carboxamide
CID 28689186
2-(2-nitrophenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689240
2-methoxy-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689148
[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2969584
N-(4-benzamidophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4510251
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
2-(3-methylphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689196
4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 46457013
2-chloro-4-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689132

Frequently Asked Questions

What is the IUPAC name of N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide (CID 28689246) is N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide is O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide?
The InChIKey is ADHRWAMOEXCIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-24(19-6-9-21(10-7-19)32-17-18-4-2-1-3-5-18)26-20-8-11-22(23(16-20)28(30)31)27-14-12-25-13-15-27/h1-11,16,25H,12-15,17H2,(H,26,29).
What are the key properties of N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide?
N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide has a molecular weight of 432.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitro-4-piperazin-1-ylphenyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 28689246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).