(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

C15H18N2O2S — CID 53014197

IUPAC(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1c(C(=O)N2CCN(C)CC2)sc2ccccc12
InChIInChI=1S/C15H18N2O2S/c1-16-7-9-17(10-8-16)15(18)14-13(19-2)11-5-3-4-6-12(11)20-14/h3-6H,7-10H2,1-2H3
InChIKeyAXUOJRVWBQPAAA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.30
Rot. Bonds2

About (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 53014197) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID53014197
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1c(C(=O)N2CCN(C)CC2)sc2ccccc12
InChIInChI=1S/C15H18N2O2S/c1-16-7-9-17(10-8-16)15(18)14-13(19-2)11-5-3-4-6-12(11)20-14/h3-6H,7-10H2,1-2H3
InChIKeyAXUOJRVWBQPAAA-UHFFFAOYSA-N
XLogP2.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78820246
(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50846112
ethyl 4-(3-methyl-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 17436331
(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 53014209
[4-(3-chloro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]-(3-chloro-1-benzothiophen-2-yl)methanone
CID 1000910
(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 50845916
(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 50845694
(3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 18121598
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 19008809
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 119801171
3-amino-2-methyl-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 120501514

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 53014197) is (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone is COc1c(C(=O)N2CCN(C)CC2)sc2ccccc12.
What is the InChIKey of (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is AXUOJRVWBQPAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-16-7-9-17(10-8-16)15(18)14-13(19-2)11-5-3-4-6-12(11)20-14/h3-6H,7-10H2,1-2H3.
What are the key properties of (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53014197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).