[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone

C18H20N2O4S — CID 1074729

IUPAC[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H20N2O4S/c1-23-14-10-13(11-15(12-14)24-2)17(21)19-5-7-20(8-6-19)18(22)16-4-3-9-25-16/h3-4,9-12H,5-8H2,1-2H3
InChIKeyJUSZRAMTEPNBCC-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.36
Rot. Bonds4

About [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 1074729) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID1074729
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H20N2O4S/c1-23-14-10-13(11-15(12-14)24-2)17(21)19-5-7-20(8-6-19)18(22)16-4-3-9-25-16/h3-4,9-12H,5-8H2,1-2H3
InChIKeyJUSZRAMTEPNBCC-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 [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 1074729) is [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone is COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JUSZRAMTEPNBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-23-14-10-13(11-15(12-14)24-2)17(21)19-5-7-20(8-6-19)18(22)16-4-3-9-25-16/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone 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 [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1074729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).