propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate

C12H21NO3 — CID 63853302

IUPACpropan-2-yl 2-(3-acetylpiperidin-1-yl)acetate
SMILESCC(=O)C1CCCN(CC(=O)OC(C)C)C1
InChIInChI=1S/C12H21NO3/c1-9(2)16-12(15)8-13-6-4-5-11(7-13)10(3)14/h9,11H,4-8H2,1-3H3
InChIKeySVDKVYDZURXSEP-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.24
Rot. Bonds4

About propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate

propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate (PubChem CID 63853302) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-acetylpiperidin-1-yl)acetate
PubChem CID63853302
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namepropan-2-yl 2-(3-acetylpiperidin-1-yl)acetate
SMILESCC(=O)C1CCCN(CC(=O)OC(C)C)C1
InChIInChI=1S/C12H21NO3/c1-9(2)16-12(15)8-13-6-4-5-11(7-13)10(3)14/h9,11H,4-8H2,1-3H3
InChIKeySVDKVYDZURXSEP-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

Analyze propan-2-yl 2-(3-acetylpiperidin-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

Related Compounds

Methyl 2-(4-acetylpiperidin-1-yl)acetate
CID 57941101
Ethyl 2-(1,2,5-trimethyl-4-oxopiperidin-1-ium-1-yl)acetate
CID 15276784
Ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
2-Methylpropyl 2-(4-oxopiperidin-1-yl)acetate
CID 57159677
ethyl 2-[(3R)-3-ethylpiperidin-1-yl]acetate
CID 57545267
Methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate
CID 58405029
1-[1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone
CID 58542290
Propan-2-yl 2-(4-acetylpiperidin-1-yl)acetate
CID 58664342
Ethyl 2-(4-acetylpiperidin-1-yl)acetate
CID 58837137
(3S)-3-methyl-6-morpholin-4-ylhexan-2-one
CID 59979126
Propan-2-yl 2-(3-methylpiperidin-1-yl)acetate
CID 60683574
Ethyl 2-(3-acetylpiperidin-1-yl)acetate
CID 63853304

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate (CID 63853302) is propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate is CC(=O)C1CCCN(CC(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate?
The InChIKey is SVDKVYDZURXSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)16-12(15)8-13-6-4-5-11(7-13)10(3)14/h9,11H,4-8H2,1-3H3.
What are the key properties of propan-2-yl 2-(3-acetylpiperidin-1-yl)acetate?
propan-2-yl 2-(3-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-(3-acetylpiperidin-1-yl)acetate is sourced from PubChem (CID 63853302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).