(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride

C16H18ClN3O2S — CID 119689026

IUPAC(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H17N3O2S.ClH/c17-13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-22-14;/h1-6,11H,7-10,17H2;1H
InChIKeyXVTPCQZMCNDQLS-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.35
Rot. Bonds2

About (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride

(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119689026) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119689026
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C16H17N3O2S.ClH/c17-13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-22-14;/h1-6,11H,7-10,17H2;1H
InChIKeyXVTPCQZMCNDQLS-UHFFFAOYSA-N
XLogP2.35
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride 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

(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689053
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 60788153
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 9476777
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119689026) is (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is Cl.Nc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is XVTPCQZMCNDQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S.ClH/c17-13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-22-14;/h1-6,11H,7-10,17H2;1H.
What are the key properties of (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 351.86 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119689026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).