[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone

C17H20N2O2S — CID 110109712

IUPAC[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
SMILESCOc1ccc(C2CN(C(=O)c3ccsc3)CCN2C)cc1
InChIInChI=1S/C17H20N2O2S/c1-18-8-9-19(17(20)14-7-10-22-12-14)11-16(18)13-3-5-15(21-2)6-4-13/h3-7,10,12,16H,8-9,11H2,1-2H3
InChIKeyOCUKFUHTTUPXBA-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.89
Rot. Bonds3

About [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone

[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 110109712) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID110109712
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
SMILESCOc1ccc(C2CN(C(=O)c3ccsc3)CCN2C)cc1
InChIInChI=1S/C17H20N2O2S/c1-18-8-9-19(17(20)14-7-10-22-12-14)11-16(18)13-3-5-15(21-2)6-4-13/h3-7,10,12,16H,8-9,11H2,1-2H3
InChIKeyOCUKFUHTTUPXBA-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methoxyphenyl)-4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 110109440
5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110109723
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
[(3R,4S)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 72902697
6-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110109729
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 129337486
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 124977561
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098385
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 70712972
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 84513587
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone (CID 110109712) is [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone is COc1ccc(C2CN(C(=O)c3ccsc3)CCN2C)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is OCUKFUHTTUPXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-18-8-9-19(17(20)14-7-10-22-12-14)11-16(18)13-3-5-15(21-2)6-4-13/h3-7,10,12,16H,8-9,11H2,1-2H3.
What are the key properties of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone?
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 110109712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).