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

C15H25N3O3 — CID 91925716

IUPAC3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-21-11-10-17-5-4-13(15(17)20)16-6-8-18(9-7-16)14(19)12-2-3-12/h12-13H,2-11H2,1H3
InChIKeyFLMAGRJQWZVGBQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP-0.21
Rot. Bonds5

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

3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 91925716) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID91925716
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CCC(N2CCN(C(=O)C3CC3)CC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-21-11-10-17-5-4-13(15(17)20)16-6-8-18(9-7-16)14(19)12-2-3-12/h12-13H,2-11H2,1H3
InChIKeyFLMAGRJQWZVGBQ-UHFFFAOYSA-N
XLogP-0.21
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 91925716) is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CCC(N2CCN(C(=O)C3CC3)CC2)C1=O.
What is the InChIKey of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is FLMAGRJQWZVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-21-11-10-17-5-4-13(15(17)20)16-6-8-18(9-7-16)14(19)12-2-3-12/h12-13H,2-11H2,1H3.
What are the key properties of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 295.38 g/mol, XLogP of -0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 91925716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).