3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

C16H22ClN3O3S — CID 91925728

IUPAC3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)c3ccc(Cl)s3)CC2)C1=O
InChIInChI=1S/C16H22ClN3O3S/c1-23-11-10-19-5-4-12(15(19)21)18-6-8-20(9-7-18)16(22)13-2-3-14(17)24-13/h2-3,12H,4-11H2,1H3
InChIKeyJMDWOKPFHBFGDA-UHFFFAOYSA-N
MW371.89 g/mol
LogP1.41
Rot. Bonds5

About 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 91925728) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID91925728
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)c3ccc(Cl)s3)CC2)C1=O
InChIInChI=1S/C16H22ClN3O3S/c1-23-11-10-19-5-4-12(15(19)21)18-6-8-20(9-7-18)16(22)13-2-3-14(17)24-13/h2-3,12H,4-11H2,1H3
InChIKeyJMDWOKPFHBFGDA-UHFFFAOYSA-N
XLogP1.41
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 91925728) is 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CCC(N2CCN(C(=O)c3ccc(Cl)s3)CC2)C1=O.
What is the InChIKey of 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is JMDWOKPFHBFGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c1-23-11-10-19-5-4-12(15(19)21)18-6-8-20(9-7-18)16(22)13-2-3-14(17)24-13/h2-3,12H,4-11H2,1H3.
What are the key properties of 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 371.89 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 91925728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).