1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone

C14H25NO2 — CID 104751033

IUPAC1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCCCN1CC(=O)C1CCOC1
InChIInChI=1S/C14H25NO2/c1-2-5-13-6-3-4-8-15(13)10-14(16)12-7-9-17-11-12/h12-13H,2-11H2,1H3
InChIKeyMFGKPQPHLNRZQX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds5

About 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone

1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone (PubChem CID 104751033) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
PubChem CID104751033
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCCCN1CC(=O)C1CCOC1
InChIInChI=1S/C14H25NO2/c1-2-5-13-6-3-4-8-15(13)10-14(16)12-7-9-17-11-12/h12-13H,2-11H2,1H3
InChIKeyMFGKPQPHLNRZQX-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)azepan-1-yl]-1-(oxolan-3-yl)ethanone
CID 116635401
1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 104749907
3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
CID 83055895
3-(2-propylpiperidin-1-yl)oxan-4-amine
CID 83053463
1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
4-[(2-propylpiperidin-1-yl)methyl]oxane-4-carboxylic acid
CID 83061533
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propylmorpholine-3-carboxamide
CID 104751044
1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83055820
2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
CID 106836620
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
1-pentyl-2-propylpiperidine
CID 54429991

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone (CID 104751033) is 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone is CCCC1CCCCN1CC(=O)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone?
The InChIKey is MFGKPQPHLNRZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-5-13-6-3-4-8-15(13)10-14(16)12-7-9-17-11-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone?
1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 104751033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).