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

C16H23N3O3S — CID 91925727

IUPAC1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)c3ccsc3)CC2)C1=O
InChIInChI=1S/C16H23N3O3S/c1-22-10-9-18-4-2-14(16(18)21)17-5-7-19(8-6-17)15(20)13-3-11-23-12-13/h3,11-12,14H,2,4-10H2,1H3
InChIKeyGZJUAJICCKPJHY-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.75
Rot. Bonds5

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

1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 91925727) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID91925727
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)c3ccsc3)CC2)C1=O
InChIInChI=1S/C16H23N3O3S/c1-22-10-9-18-4-2-14(16(18)21)17-5-7-19(8-6-17)15(20)13-3-11-23-12-13/h3,11-12,14H,2,4-10H2,1H3
InChIKeyGZJUAJICCKPJHY-UHFFFAOYSA-N
XLogP0.75
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 91925727) is 1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one is COCCN1CCC(N2CCN(C(=O)c3ccsc3)CC2)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is GZJUAJICCKPJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-22-10-9-18-4-2-14(16(18)21)17-5-7-19(8-6-17)15(20)13-3-11-23-12-13/h3,11-12,14H,2,4-10H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 337.45 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[4-(thiophene-3-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 91925727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).