propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate

C12H21NO3 — CID 58664342

IUPACpropan-2-yl 2-(4-acetylpiperidin-1-yl)acetate
SMILESCC(=O)C1CCN(CC(=O)OC(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-9(2)16-12(15)8-13-6-4-11(5-7-13)10(3)14/h9,11H,4-8H2,1-3H3
InChIKeyKUVYFZKUSQOKFL-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.24
Rot. Bonds4

About propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate

propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate (PubChem CID 58664342) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-acetylpiperidin-1-yl)acetate
PubChem CID58664342
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namepropan-2-yl 2-(4-acetylpiperidin-1-yl)acetate
SMILESCC(=O)C1CCN(CC(=O)OC(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-9(2)16-12(15)8-13-6-4-11(5-7-13)10(3)14/h9,11H,4-8H2,1-3H3
InChIKeyKUVYFZKUSQOKFL-UHFFFAOYSA-N
XLogP1.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate (CID 58664342) is propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate is CC(=O)C1CCN(CC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate?
The InChIKey is KUVYFZKUSQOKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)16-12(15)8-13-6-4-11(5-7-13)10(3)14/h9,11H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate?
propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate has a molecular weight of 227.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate is sourced from PubChem (CID 58664342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).