2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one

C12H18N2OS — CID 82511106

IUPAC2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one
SMILESCC(Cc1ccsc1)C(=O)N1CCNCC1
InChIInChI=1S/C12H18N2OS/c1-10(8-11-2-7-16-9-11)12(15)14-5-3-13-4-6-14/h2,7,9-10,13H,3-6,8H2,1H3
InChIKeyHTBYQDJVVAKQRI-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.36
Rot. Bonds3

About 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one

2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one (PubChem CID 82511106) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one
PubChem CID82511106
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one
SMILESCC(Cc1ccsc1)C(=O)N1CCNCC1
InChIInChI=1S/C12H18N2OS/c1-10(8-11-2-7-16-9-11)12(15)14-5-3-13-4-6-14/h2,7,9-10,13H,3-6,8H2,1H3
InChIKeyHTBYQDJVVAKQRI-UHFFFAOYSA-N
XLogP1.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-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

3-(4-bromophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82095106
2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone
CID 82511218
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
1-(1,4-diazepan-1-yl)-2-methyl-3-pyridin-3-ylpropan-1-one
CID 82086571
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
CID 116559574
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one (CID 82511106) is 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one is CC(Cc1ccsc1)C(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one?
The InChIKey is HTBYQDJVVAKQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10(8-11-2-7-16-9-11)12(15)14-5-3-13-4-6-14/h2,7,9-10,13H,3-6,8H2,1H3.
What are the key properties of 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one?
2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one has a molecular weight of 238.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-yl-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 82511106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).