3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide

C11H19FN2O2 — CID 142663331

IUPAC3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide
SMILESCC(C)(C(F)CC(N)=O)N1CCCCC1=O
InChIInChI=1S/C11H19FN2O2/c1-11(2,8(12)7-9(13)15)14-6-4-3-5-10(14)16/h8H,3-7H2,1-2H3,(H2,13,15)
InChIKeyJGOQWGWRRIFNFF-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.99
Rot. Bonds4

About 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide

3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 142663331) has the molecular formula C11H19FN2O2 and a molecular weight of 230.28 g/mol. Its IUPAC name is 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide
PubChem CID142663331
Molecular FormulaC11H19FN2O2
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide
SMILESCC(C)(C(F)CC(N)=O)N1CCCCC1=O
InChIInChI=1S/C11H19FN2O2/c1-11(2,8(12)7-9(13)15)14-6-4-3-5-10(14)16/h8H,3-7H2,1-2H3,(H2,13,15)
InChIKeyJGOQWGWRRIFNFF-UHFFFAOYSA-N
XLogP0.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide (CID 142663331) is 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide is CC(C)(C(F)CC(N)=O)N1CCCCC1=O.
What is the InChIKey of 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is JGOQWGWRRIFNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O2/c1-11(2,8(12)7-9(13)15)14-6-4-3-5-10(14)16/h8H,3-7H2,1-2H3,(H2,13,15).
What are the key properties of 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide?
3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 230.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-4-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 142663331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).