3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one

C15H27N3O3 — CID 91925734

IUPAC3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCCC(=O)N1CCN(C2CCN(CCOC)C2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-3-4-14(19)17-9-7-16(8-10-17)13-5-6-18(15(13)20)11-12-21-2/h13H,3-12H2,1-2H3
InChIKeyYDBQABIRUGFPBU-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.18
Rot. Bonds6

About 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one

3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 91925734) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID91925734
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCCC(=O)N1CCN(C2CCN(CCOC)C2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-3-4-14(19)17-9-7-16(8-10-17)13-5-6-18(15(13)20)11-12-21-2/h13H,3-12H2,1-2H3
InChIKeyYDBQABIRUGFPBU-UHFFFAOYSA-N
XLogP0.18
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 91925734) is 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is CCCC(=O)N1CCN(C2CCN(CCOC)C2=O)CC1.
What is the InChIKey of 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is YDBQABIRUGFPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-4-14(19)17-9-7-16(8-10-17)13-5-6-18(15(13)20)11-12-21-2/h13H,3-12H2,1-2H3.
What are the key properties of 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 91925734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).