4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one

C9H16FNO2 — CID 58365093

IUPAC4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one
SMILESCC(C)(C)OC1CNC(=O)CC1F
InChIInChI=1S/C9H16FNO2/c1-9(2,3)13-7-5-11-8(12)4-6(7)10/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyOPZGBUJZVZRVCX-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.03
Rot. Bonds1

About 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one

4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one (PubChem CID 58365093) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one.

Molecular Properties

Compound Name4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one
PubChem CID58365093
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one
SMILESCC(C)(C)OC1CNC(=O)CC1F
InChIInChI=1S/C9H16FNO2/c1-9(2,3)13-7-5-11-8(12)4-6(7)10/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyOPZGBUJZVZRVCX-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-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

Related Compounds

5-Methoxypiperidin-2-one
CID 70339624
5-Ethoxy-4-fluoropiperidin-2-one
CID 68275126
3,3-Difluoro-5-methoxypiperidin-2-one
CID 121247090
3,3-Difluoro-5-propan-2-yloxypiperidin-2-one
CID 135291707
3-(2-Methylmorpholin-2-yl)propanoyl fluoride
CID 174847455
N-methyl-3-morpholin-2-ylpropanamide
CID 17979219
[(3S,4R)-4-methyl-6-oxopiperidin-3-yl] acetate
CID 54210064
5-[(2-Methylpropan-2-yl)oxy]piperidin-2-one
CID 58365060
5-Ethoxypiperidin-2-one
CID 58376444
(4-Methyl-6-oxopiperidin-3-yl) acetate
CID 67552854
N,N-dimethyl-3-morpholin-2-ylpropanamide
CID 84066079
N-methyl-3-(4-methylmorpholin-2-yl)propanamide
CID 118119712

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one?
The IUPAC name of 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one (CID 58365093) is 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one.
What is the SMILES notation for 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one?
The canonical SMILES for 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one is CC(C)(C)OC1CNC(=O)CC1F.
What is the InChIKey of 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one?
The InChIKey is OPZGBUJZVZRVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(2,3)13-7-5-11-8(12)4-6(7)10/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one?
4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one has a molecular weight of 189.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-2-one is sourced from PubChem (CID 58365093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).