methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate

C11H18FNO3 — CID 155453938

IUPACmethyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CCCC1C(C)(C)F
InChIInChI=1S/C11H18FNO3/c1-11(2,12)8-5-4-6-9(14)13(8)7-10(15)16-3/h8H,4-7H2,1-3H3
InChIKeyVOGRZIRHEAQBLO-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.29
Rot. Bonds3

About methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate

methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate (PubChem CID 155453938) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate
PubChem CID155453938
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Namemethyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CCCC1C(C)(C)F
InChIInChI=1S/C11H18FNO3/c1-11(2,12)8-5-4-6-9(14)13(8)7-10(15)16-3/h8H,4-7H2,1-3H3
InChIKeyVOGRZIRHEAQBLO-UHFFFAOYSA-N
XLogP1.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate 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 methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate (CID 155453938) is methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate is COC(=O)CN1C(=O)CCCC1C(C)(C)F.
What is the InChIKey of methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate?
The InChIKey is VOGRZIRHEAQBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-11(2,12)8-5-4-6-9(14)13(8)7-10(15)16-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate?
methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate has a molecular weight of 231.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-fluoropropan-2-yl)-6-oxopiperidin-1-yl]acetate is sourced from PubChem (CID 155453938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).