3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one

C13H23NO2 — CID 114500283

IUPAC3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one
SMILESCC1CN(CCCC2CCCO2)CCC1=O
InChIInChI=1S/C13H23NO2/c1-11-10-14(8-6-13(11)15)7-2-4-12-5-3-9-16-12/h11-12H,2-10H2,1H3
InChIKeyWURFKSBBQOUVSX-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds4

About 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one

3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one (PubChem CID 114500283) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one
PubChem CID114500283
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one
SMILESCC1CN(CCCC2CCCO2)CCC1=O
InChIInChI=1S/C13H23NO2/c1-11-10-14(8-6-13(11)15)7-2-4-12-5-3-9-16-12/h11-12H,2-10H2,1H3
InChIKeyWURFKSBBQOUVSX-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
CID 65162197
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549060
[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methanol
CID 65166006
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
CID 65165279
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
N-[[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methyl]propan-2-amine
CID 65161095
2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 102936612
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 65166537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one?
The IUPAC name of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one (CID 114500283) is 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one.
What is the SMILES notation for 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one?
The canonical SMILES for 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one is CC1CN(CCCC2CCCO2)CCC1=O.
What is the InChIKey of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one?
The InChIKey is WURFKSBBQOUVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11-10-14(8-6-13(11)15)7-2-4-12-5-3-9-16-12/h11-12H,2-10H2,1H3.
What are the key properties of 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one?
3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one has a molecular weight of 225.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one is sourced from PubChem (CID 114500283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).