[4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H17N3OS — CID 1154358

IUPAC[4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C15H17N3OS/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10,16H2
InChIKeyWWAUNMJQFAJHAD-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.29
Rot. Bonds2

About [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 1154358) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID1154358
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C15H17N3OS/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10,16H2
InChIKeyWWAUNMJQFAJHAD-UHFFFAOYSA-N
XLogP2.29
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 1154358) is [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WWAUNMJQFAJHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10,16H2.
What are the key properties of [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 287.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1154358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).