[(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone

C17H22N2O2S — CID 97093948

IUPAC[(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
SMILESCOCc1c(C(=O)N2CCN(C)C[C@H]2C)sc2ccccc12
InChIInChI=1S/C17H22N2O2S/c1-12-10-18(2)8-9-19(12)17(20)16-14(11-21-3)13-6-4-5-7-15(13)22-16/h4-7,12H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyLGVSOHKZFHZTIU-GFCCVEGCSA-N
MW318.44 g/mol
LogP2.82
Rot. Bonds3

About [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone

[(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone (PubChem CID 97093948) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
PubChem CID97093948
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name[(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
SMILESCOCc1c(C(=O)N2CCN(C)C[C@H]2C)sc2ccccc12
InChIInChI=1S/C17H22N2O2S/c1-12-10-18(2)8-9-19(12)17(20)16-14(11-21-3)13-6-4-5-7-15(13)22-16/h4-7,12H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyLGVSOHKZFHZTIU-GFCCVEGCSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone with MolForge

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Related Compounds

N-cyclohexyl-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 16326347
(R)-7-(methoxymethyl)-N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]octan]-3''-yl)benzo[b]thiophene-2-carboxamide
CID 132253687
(R)-N-(2,2-dimethylquinuclidin-3-yl)-7-(methoxymethyl)benzo[b]thiophene-2-carboxamide
CID 132253884
[3-[Benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 24793283
[5-(Methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 45174885
1-(3-Methoxy-1-benzothiophene-2-carbonyl)-4-methylpiperazine
CID 53014197
3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251209
3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
CID 110251688
5-[5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophen-2-yl]-3H-2-benzofuran-1-one
CID 127036770
(R)-N-(2,2-dimethylquinuclidin-3-yl)-6-(methoxymethyl)benzo[b]thiophene-2-carboxamide
CID 132253690
(R)-6-(methoxymethyl)-N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]octan]-3''-yl)benzo[b]thiophene-2-carboxamide
CID 132253920
Methyl 5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]thiophene-2-carboxylate
CID 35188656

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone?
The IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone (CID 97093948) is [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone.
What is the SMILES notation for [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone?
The canonical SMILES for [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone is COCc1c(C(=O)N2CCN(C)C[C@H]2C)sc2ccccc12.
What is the InChIKey of [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone?
The InChIKey is LGVSOHKZFHZTIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-10-18(2)8-9-19(12)17(20)16-14(11-21-3)13-6-4-5-7-15(13)22-16/h4-7,12H,8-11H2,1-3H3/t12-/m1/s1.
What are the key properties of [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone?
[(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone has a molecular weight of 318.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,4-dimethylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzothiophen-2-yl]methanone is sourced from PubChem (CID 97093948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).