1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone

C18H17N3O2S — CID 70771514

IUPAC1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2sccc2c1)N1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C18H17N3O2S/c22-17(14-3-4-16-13(12-14)5-11-24-16)20-7-9-21(10-8-20)18(23)15-2-1-6-19-15/h1-6,11-12,19H,7-10H2
InChIKeyLVXSOMHIUONSLR-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.83
Rot. Bonds2

About 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone

1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 70771514) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID70771514
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2sccc2c1)N1CCN(C(=O)c2ccc[nH]2)CC1
InChIInChI=1S/C18H17N3O2S/c22-17(14-3-4-16-13(12-14)5-11-24-16)20-7-9-21(10-8-20)18(23)15-2-1-6-19-15/h1-6,11-12,19H,7-10H2
InChIKeyLVXSOMHIUONSLR-UHFFFAOYSA-N
XLogP2.83
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-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

(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197
5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815094
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816676
(4-fluoro-3-methylphenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110814912
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
(4-fluorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808135
(3-chlorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808412
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
1-benzothiophen-5-yl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119636660
1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 110815571
1-[1-(1-benzothiophene-5-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 136516942

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone (CID 70771514) is 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc2sccc2c1)N1CCN(C(=O)c2ccc[nH]2)CC1.
What is the InChIKey of 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LVXSOMHIUONSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(14-3-4-16-13(12-14)5-11-24-16)20-7-9-21(10-8-20)18(23)15-2-1-6-19-15/h1-6,11-12,19H,7-10H2.
What are the key properties of 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 339.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70771514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).