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

C15H21FN4O — CID 90205284

IUPAC1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESNc1cncc(F)c1N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C15H21FN4O/c16-12-8-18-9-13(17)15(12)19-6-3-11(4-7-19)10-20-5-1-2-14(20)21/h8-9,11H,1-7,10,17H2
InChIKeySDTYKEFFUXJPAV-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.64
Rot. Bonds3

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

1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 90205284) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID90205284
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESNc1cncc(F)c1N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C15H21FN4O/c16-12-8-18-9-13(17)15(12)19-6-3-11(4-7-19)10-20-5-1-2-14(20)21/h8-9,11H,1-7,10,17H2
InChIKeySDTYKEFFUXJPAV-UHFFFAOYSA-N
XLogP1.64
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one (CID 90205284) is 1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one is Nc1cncc(F)c1N1CCC(CN2CCCC2=O)CC1.
What is the InChIKey of 1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is SDTYKEFFUXJPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c16-12-8-18-9-13(17)15(12)19-6-3-11(4-7-19)10-20-5-1-2-14(20)21/h8-9,11H,1-7,10,17H2.
What are the key properties of 1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-(3-amino-5-fluoro-4-pyridinyl)piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 292.36 g/mol, XLogP of 1.64, 3 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]methyl]pyrrolidin-2-one is sourced from PubChem (CID 90205284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).