4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one

C13H21FN2O3 — CID 131914555

IUPAC4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2CCC(F)CC2)CC1=O
InChIInChI=1S/C13H21FN2O3/c1-19-7-6-16-9-10(8-12(16)17)13(18)15-4-2-11(14)3-5-15/h10-11H,2-9H2,1H3
InChIKeyFGSQKMUTWSIHGQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.44
Rot. Bonds4

About 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one

4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 131914555) has the molecular formula C13H21FN2O3 and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID131914555
Molecular FormulaC13H21FN2O3
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(C(=O)N2CCC(F)CC2)CC1=O
InChIInChI=1S/C13H21FN2O3/c1-19-7-6-16-9-10(8-12(16)17)13(18)15-4-2-11(14)3-5-15/h10-11H,2-9H2,1H3
InChIKeyFGSQKMUTWSIHGQ-UHFFFAOYSA-N
XLogP0.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 131914555) is 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(C(=O)N2CCC(F)CC2)CC1=O.
What is the InChIKey of 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is FGSQKMUTWSIHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3/c1-19-7-6-16-9-10(8-12(16)17)13(18)15-4-2-11(14)3-5-15/h10-11H,2-9H2,1H3.
What are the key properties of 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one?
4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 272.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidine-1-carbonyl)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 131914555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).