4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one

C13H18N2O2S — CID 64694097

IUPAC4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
SMILESCc1cc(C(=O)CN2CCN(C)C(=O)C2)c(C)s1
InChIInChI=1S/C13H18N2O2S/c1-9-6-11(10(2)18-9)12(16)7-15-5-4-14(3)13(17)8-15/h6H,4-5,7-8H2,1-3H3
InChIKeyGEMJIYVCZNVMDP-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.32
Rot. Bonds3

About 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one

4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one (PubChem CID 64694097) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
PubChem CID64694097
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
SMILESCc1cc(C(=O)CN2CCN(C)C(=O)C2)c(C)s1
InChIInChI=1S/C13H18N2O2S/c1-9-6-11(10(2)18-9)12(16)7-15-5-4-14(3)13(17)8-15/h6H,4-5,7-8H2,1-3H3
InChIKeyGEMJIYVCZNVMDP-UHFFFAOYSA-N
XLogP1.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one (CID 64694097) is 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one is Cc1cc(C(=O)CN2CCN(C)C(=O)C2)c(C)s1.
What is the InChIKey of 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one?
The InChIKey is GEMJIYVCZNVMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-6-11(10(2)18-9)12(16)7-15-5-4-14(3)13(17)8-15/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one?
4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one has a molecular weight of 266.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64694097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).