(5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

C15H15N3O3S — CID 2479394

IUPAC(5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15N3O3S/c19-15(13-6-7-14(22-13)18(20)21)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyIAVXMQOSVVIPEA-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.62
Rot. Bonds3

About (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

(5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2479394) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID2479394
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15N3O3S/c19-15(13-6-7-14(22-13)18(20)21)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyIAVXMQOSVVIPEA-UHFFFAOYSA-N
XLogP2.62
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
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'}

Analyze (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methanone, [4-(2-fluoro-4-nitrophenyl)-1-piperazinyl](2-thienyl)-
CID 544906
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
[4-(3-Chlorophenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 2443218
Indolin-1-yl(5-nitrothiophen-2-yl)methanone
CID 4609811
(4-Nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 787265
N-(2-fluorophenyl)-5-nitrothiophene-2-carboxamide
CID 4191742
{4-[4-(2-Thienylcarbonyl)piperazin-1-yl]phenyl}amine
CID 1154358
[4-(4-Phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 660306
(5-Chlorothiophen-2-yl)(4-phenylpiperazin-1-yl)methanone
CID 1245506
1-[4-(4-Nitrophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 2904576
N-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]-2-thiophenecarboxamide
CID 2966065
N-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 3165283

Frequently Asked Questions

What is the IUPAC name of (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 2479394) is (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is IAVXMQOSVVIPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15(13-6-7-14(22-13)18(20)21)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 317.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2479394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).