1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone

C14H25NO2 — CID 103498923

IUPAC1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(CC(=O)C2CCOC2)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)12-3-6-15(7-4-12)9-14(16)13-5-8-17-10-13/h11-13H,3-10H2,1-2H3
InChIKeyHHGPIJJSHHCWOL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.96
Rot. Bonds4

About 1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone

1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 103498923) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID103498923
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(CC(=O)C2CCOC2)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)12-3-6-15(7-4-12)9-14(16)13-5-8-17-10-13/h11-13H,3-10H2,1-2H3
InChIKeyHHGPIJJSHHCWOL-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
CID 106836620
1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 104749907
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
CID 104750677
1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104751088
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 65330399
4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 104751051

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 103498923) is 1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)C1CCN(CC(=O)C2CCOC2)CC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is HHGPIJJSHHCWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)12-3-6-15(7-4-12)9-14(16)13-5-8-17-10-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone?
1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 1.96, 4 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-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103498923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).