[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C18H19ClN2O3S — CID 2815639

IUPAC[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H19ClN2O3S/c19-15-12-4-1-2-6-14(12)25-16(15)18(23)21-9-7-20(8-10-21)17(22)13-5-3-11-24-13/h1-2,4,6,13H,3,5,7-11H2
InChIKeyAMHBURGLRFZZQF-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.02
Rot. Bonds2

About [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 2815639) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID2815639
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H19ClN2O3S/c19-15-12-4-1-2-6-14(12)25-16(15)18(23)21-9-7-20(8-10-21)17(22)13-5-3-11-24-13/h1-2,4,6,13H,3,5,7-11H2
InChIKeyAMHBURGLRFZZQF-UHFFFAOYSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 2815639) is [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is AMHBURGLRFZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-15-12-4-1-2-6-14(12)25-16(15)18(23)21-9-7-20(8-10-21)17(22)13-5-3-11-24-13/h1-2,4,6,13H,3,5,7-11H2.
What are the key properties of [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 378.88 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 2815639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).