(2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone

C23H21N3O3 — CID 151936086

IUPAC(2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H21N3O3/c27-23(25-15-13-24(14-16-25)20-9-5-2-6-10-20)21-12-11-19(17-22(21)26(28)29)18-7-3-1-4-8-18/h1-12,17H,13-16H2
InChIKeySZUXJIUYVIBFEN-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.22
Rot. Bonds4

About (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone

(2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 151936086) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID151936086
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name(2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H21N3O3/c27-23(25-15-13-24(14-16-25)20-9-5-2-6-10-20)21-12-11-19(17-22(21)26(28)29)18-7-3-1-4-8-18/h1-12,17H,13-16H2
InChIKeySZUXJIUYVIBFEN-UHFFFAOYSA-N
XLogP4.22
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
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

[4-(benzylamino)-2-nitrophenyl]-(4-phenylpiperazin-1-yl)methanone
CID 151963831
(2,4-dinitrophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 3849279
[4-(3-chlorophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 739922
(3-methyl-4-nitrophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1121255
(2-nitrophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56724560
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
(4-chloro-2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1321658
(2-methylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3113445
2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 17256523
(1,3-diphenylpyrazol-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 26287013
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
2-nitro-4-(3-nitrophenyl)benzoic acid
CID 53226350

Frequently Asked Questions

What is the IUPAC name of (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 151936086) is (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SZUXJIUYVIBFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-23(25-15-13-24(14-16-25)20-9-5-2-6-10-20)21-12-11-19(17-22(21)26(28)29)18-7-3-1-4-8-18/h1-12,17H,13-16H2.
What are the key properties of (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 151936086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).