3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one

C12H17N3O2S — CID 54873741

IUPAC3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C12H17N3O2S/c13-3-1-11(16)14-4-6-15(7-5-14)12(17)10-2-8-18-9-10/h2,8-9H,1,3-7,13H2
InChIKeyMXQDGHJFFGHKAP-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.38
Rot. Bonds3

About 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 54873741) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID54873741
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C12H17N3O2S/c13-3-1-11(16)14-4-6-15(7-5-14)12(17)10-2-8-18-9-10/h2,8-9H,1,3-7,13H2
InChIKeyMXQDGHJFFGHKAP-UHFFFAOYSA-N
XLogP0.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one 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

2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
4-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]butanoic acid
CID 60948619
4-(methylamino)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 60962937
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 2756480
1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 137337229
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119309527
2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 65227352
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120624522

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one (CID 54873741) is 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is MXQDGHJFFGHKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-3-1-11(16)14-4-6-15(7-5-14)12(17)10-2-8-18-9-10/h2,8-9H,1,3-7,13H2.
What are the key properties of 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 267.35 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 54873741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).