3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one

C11H19NO2 — CID 103135802

IUPAC3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one
SMILESCC1CCC(CC2CNCCC2=O)O1
InChIInChI=1S/C11H19NO2/c1-8-2-3-10(14-8)6-9-7-12-5-4-11(9)13/h8-10,12H,2-7H2,1H3
InChIKeyPYTZSPIJHAPDDG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.12
Rot. Bonds2

About 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one

3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one (PubChem CID 103135802) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one
PubChem CID103135802
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one
SMILESCC1CCC(CC2CNCCC2=O)O1
InChIInChI=1S/C11H19NO2/c1-8-2-3-10(14-8)6-9-7-12-5-4-11(9)13/h8-10,12H,2-7H2,1H3
InChIKeyPYTZSPIJHAPDDG-UHFFFAOYSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one 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

4-(Oxolan-3-yl)-1-piperidin-4-ylbutan-1-one
CID 68853577
3-(Oxolan-3-yl)-1-piperidin-4-ylpropan-1-one
CID 68853885
2-Methyl-6-(oxan-4-yl)piperidin-4-one
CID 82398775
4-(Oxan-4-yl)-1-piperidin-4-ylbutan-1-one
CID 91271403
[(2S,8R)-2,8-dimethyloxocan-4-yl]-(4-methylpiperidin-4-yl)methanone
CID 156796997
N-propan-2-yl-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 168763744
3-(2-Methylpropyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 169568076
2-(Morpholin-2-ylmethyl)cyclopentan-1-one
CID 175253845
3-(oxolan-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 65155036
2-(Aminomethyl)-3-(5-methyloxolan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 82838420
1-(Oxan-4-yl)-3-piperidin-4-ylpropan-1-one
CID 84133551
N-[(4-ethylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide
CID 86848272

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one (CID 103135802) is 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one is CC1CCC(CC2CNCCC2=O)O1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one?
The InChIKey is PYTZSPIJHAPDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-2-3-10(14-8)6-9-7-12-5-4-11(9)13/h8-10,12H,2-7H2,1H3.
What are the key properties of 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one?
3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one has a molecular weight of 197.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one is sourced from PubChem (CID 103135802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).