(6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one

C14H14N2O2S — CID 125144650

IUPAC(6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one
SMILESC[C@H]1CN(C(=O)c2csc3ccccc23)CC(=O)N1
InChIInChI=1S/C14H14N2O2S/c1-9-6-16(7-13(17)15-9)14(18)11-8-19-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyQHFMKBAXZSDKEX-VIFPVBQESA-N
MW274.34 g/mol
LogP1.86
Rot. Bonds1

About (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one

(6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one (PubChem CID 125144650) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one
PubChem CID125144650
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name(6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one
SMILESC[C@H]1CN(C(=O)c2csc3ccccc23)CC(=O)N1
InChIInChI=1S/C14H14N2O2S/c1-9-6-16(7-13(17)15-9)14(18)11-8-19-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyQHFMKBAXZSDKEX-VIFPVBQESA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-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

1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 154738823
1-(1-benzothiophene-3-carbonyl)-1,4-diazepan-5-one
CID 55153408
1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937282
1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55185518
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105
1-benzothiophen-3-yl-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570146
1-benzothiophen-3-yl-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 126838100
1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone
CID 75433786
3-[(3S)-1-(1-benzothiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124700764
1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471975
1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81209686
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one?
The IUPAC name of (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one (CID 125144650) is (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one.
What is the SMILES notation for (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one?
The canonical SMILES for (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one is C[C@H]1CN(C(=O)c2csc3ccccc23)CC(=O)N1.
What is the InChIKey of (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one?
The InChIKey is QHFMKBAXZSDKEX-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-6-16(7-13(17)15-9)14(18)11-8-19-12-5-3-2-4-10(11)12/h2-5,8-9H,6-7H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one?
(6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one has a molecular weight of 274.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 125144650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).