(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone

C12H21NO3 — CID 115885938

IUPAC(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C12H21NO3/c1-9-10(4-7-16-9)11(14)13-6-3-5-12(2,15)8-13/h9-10,15H,3-8H2,1-2H3
InChIKeyKHSYGYOXZXVJOA-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.78
Rot. Bonds1

About (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone

(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 115885938) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID115885938
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C12H21NO3/c1-9-10(4-7-16-9)11(14)13-6-3-5-12(2,15)8-13/h9-10,15H,3-8H2,1-2H3
InChIKeyKHSYGYOXZXVJOA-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone 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

(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
1,4-dioxan-2-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874906
2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79759504
(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 80660660
1-(2-methyloxolane-3-carbonyl)piperidine-3-carbothioamide
CID 79758803
[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79759313
3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 115874663
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
N-cyclobutyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872270
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175456

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone (CID 115885938) is (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)N1CCCC(C)(O)C1.
What is the InChIKey of (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is KHSYGYOXZXVJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-10(4-7-16-9)11(14)13-6-3-5-12(2,15)8-13/h9-10,15H,3-8H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone?
(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 227.30 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 115885938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).