(4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

C16H15N3O4S — CID 787265

IUPAC(4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H15N3O4S/c20-15(12-3-5-13(6-4-12)19(22)23)17-7-9-18(10-8-17)16(21)14-2-1-11-24-14/h1-6,11H,7-10H2
InChIKeySGWNRIGPTSZLTA-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.25
Rot. Bonds3

About (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

(4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 787265) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID787265
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name(4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H15N3O4S/c20-15(12-3-5-13(6-4-12)19(22)23)17-7-9-18(10-8-17)16(21)14-2-1-11-24-14/h1-6,11H,7-10H2
InChIKeySGWNRIGPTSZLTA-UHFFFAOYSA-N
XLogP2.25
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.25
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'}

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Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 787265) is (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is SGWNRIGPTSZLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c20-15(12-3-5-13(6-4-12)19(22)23)17-7-9-18(10-8-17)16(21)14-2-1-11-24-14/h1-6,11H,7-10H2.
What are the key properties of (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
(4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 345.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 787265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).