1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone

C19H18N2OS — CID 7578142

IUPAC1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H18N2OS/c22-19(18-14-15-6-4-5-9-17(15)23-18)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIKeyKJURCWCSOYGNTG-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.86
Rot. Bonds2

About 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone

1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 7578142) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID7578142
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H18N2OS/c22-19(18-14-15-6-4-5-9-17(15)23-18)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIKeyKJURCWCSOYGNTG-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzothiophen-2-yl-(4-phenylpiperazin-1-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

Related Compounds

4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61407080
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355684
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
1-benzothiophen-2-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80660821
1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
1-benzothiophen-2-yl-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99884152
1-benzothiophen-2-yl-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336725
1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 69201847
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120858098
1-benzothiophen-2-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308320
1-benzothiophen-2-yl-(4-benzylsulfonylpiperidin-1-yl)methanone
CID 119105549
N-ethyl-4-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]benzenesulfonamide
CID 100768024

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone (CID 7578142) is 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc2ccccc2s1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KJURCWCSOYGNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c22-19(18-14-15-6-4-5-9-17(15)23-18)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h1-9,14H,10-13H2.
What are the key properties of 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone?
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 322.43 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 7578142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).