2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate

C11H19NO3 — CID 57159677

IUPAC2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate
SMILESCC(C)COC(=O)CN1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-9(2)8-15-11(14)7-12-5-3-10(13)4-6-12/h9H,3-8H2,1-2H3
InChIKeyOGIYOMKYSGTMAH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.85
Rot. Bonds4

About 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate

2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate (PubChem CID 57159677) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate
PubChem CID57159677
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate
SMILESCC(C)COC(=O)CN1CCC(=O)CC1
InChIInChI=1S/C11H19NO3/c1-9(2)8-15-11(14)7-12-5-3-10(13)4-6-12/h9H,3-8H2,1-2H3
InChIKeyOGIYOMKYSGTMAH-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate (CID 57159677) is 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate is CC(C)COC(=O)CN1CCC(=O)CC1.
What is the InChIKey of 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate?
The InChIKey is OGIYOMKYSGTMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2)8-15-11(14)7-12-5-3-10(13)4-6-12/h9H,3-8H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate?
2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate has a molecular weight of 213.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(4-oxopiperidin-1-yl)acetate is sourced from PubChem (CID 57159677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).