[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone

C22H24N2O2S — CID 8966514

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2sc3ccccc3c2C)CC1
InChIInChI=1S/C22H24N2O2S/c1-3-26-19-10-6-5-9-18(19)23-12-14-24(15-13-23)22(25)21-16(2)17-8-4-7-11-20(17)27-21/h4-11H,3,12-15H2,1-2H3
InChIKeyQCDLBTSHNUDOSS-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.57
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone (PubChem CID 8966514) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
PubChem CID8966514
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2sc3ccccc3c2C)CC1
InChIInChI=1S/C22H24N2O2S/c1-3-26-19-10-6-5-9-18(19)23-12-14-24(15-13-23)22(25)21-16(2)17-8-4-7-11-20(17)27-21/h4-11H,3,12-15H2,1-2H3
InChIKeyQCDLBTSHNUDOSS-UHFFFAOYSA-N
XLogP4.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-methyl-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 17436331
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 133332975
(3-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78820246
1-[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-2-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroacetic acid
CID 171932303
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
[4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 74250244
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone
CID 131893621

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone (CID 8966514) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone is CCOc1ccccc1N1CCN(C(=O)c2sc3ccccc3c2C)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone?
The InChIKey is QCDLBTSHNUDOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-3-26-19-10-6-5-9-18(19)23-12-14-24(15-13-23)22(25)21-16(2)17-8-4-7-11-20(17)27-21/h4-11H,3,12-15H2,1-2H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone has a molecular weight of 380.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 8966514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).