1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one

C14H19FN4O — CID 90205461

IUPAC1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one
SMILESNc1cncc(F)c1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C14H19FN4O/c15-11-8-17-9-12(16)14(11)18-6-3-10(4-7-18)19-5-1-2-13(19)20/h8-10H,1-7,16H2
InChIKeyQUHGVGJMHIBRAU-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.39
Rot. Bonds2

About 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 90205461) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID90205461
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one
SMILESNc1cncc(F)c1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C14H19FN4O/c15-11-8-17-9-12(16)14(11)18-6-3-10(4-7-18)19-5-1-2-13(19)20/h8-10H,1-7,16H2
InChIKeyQUHGVGJMHIBRAU-UHFFFAOYSA-N
XLogP1.39
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]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 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one (CID 90205461) is 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one is Nc1cncc(F)c1N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is QUHGVGJMHIBRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c15-11-8-17-9-12(16)14(11)18-6-3-10(4-7-18)19-5-1-2-13(19)20/h8-10H,1-7,16H2.
What are the key properties of 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 278.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 90205461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).