(2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

C18H20N2O4S — CID 1148081

IUPAC(2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1OC
InChIInChI=1S/C18H20N2O4S/c1-23-14-6-3-5-13(16(14)24-2)17(21)19-8-10-20(11-9-19)18(22)15-7-4-12-25-15/h3-7,12H,8-11H2,1-2H3
InChIKeyWUMIAGIXRMYTIN-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.36
Rot. Bonds4

About (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

(2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 1148081) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID1148081
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name(2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1OC
InChIInChI=1S/C18H20N2O4S/c1-23-14-6-3-5-13(16(14)24-2)17(21)19-8-10-20(11-9-19)18(22)15-7-4-12-25-15/h3-7,12H,8-11H2,1-2H3
InChIKeyWUMIAGIXRMYTIN-UHFFFAOYSA-N
XLogP2.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 1148081) is (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is WUMIAGIXRMYTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-23-14-6-3-5-13(16(14)24-2)17(21)19-8-10-20(11-9-19)18(22)15-7-4-12-25-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 360.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1148081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).