methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate

C13H23NO3 — CID 79624509

IUPACmethyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCCCC1C(C)=O
InChIInChI=1S/C13H23NO3/c1-10(15)11-7-5-6-8-14(11)9-13(2,3)12(16)17-4/h11H,5-9H2,1-4H3
InChIKeyNPIQOZYEEIGQJQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.63
Rot. Bonds4

About methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate

methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate (PubChem CID 79624509) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate
PubChem CID79624509
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCCCC1C(C)=O
InChIInChI=1S/C13H23NO3/c1-10(15)11-7-5-6-8-14(11)9-13(2,3)12(16)17-4/h11H,5-9H2,1-4H3
InChIKeyNPIQOZYEEIGQJQ-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate 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

1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
CID 63844987
methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate
CID 79624007
methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanoate
CID 79624536
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228
methyl 2,2-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)propanoate
CID 79621399
methyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,2-dimethylpropanoate
CID 79620591
1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
CID 63846895
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604
methyl 2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 79629128
methyl 2,2-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 79938716

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate (CID 79624509) is methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CCCCC1C(C)=O.
What is the InChIKey of methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is NPIQOZYEEIGQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(15)11-7-5-6-8-14(11)9-13(2,3)12(16)17-4/h11H,5-9H2,1-4H3.
What are the key properties of methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 241.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79624509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).