2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone

C16H27NO2 — CID 104750677

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCC2(CCCCC2)CC1)C1CCOC1
InChIInChI=1S/C16H27NO2/c18-15(14-4-11-19-13-14)12-17-9-7-16(8-10-17)5-2-1-3-6-16/h14H,1-13H2
InChIKeyWVQAXOUUMLVFQX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.64
Rot. Bonds3

About 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone

2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 104750677) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
PubChem CID104750677
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCC2(CCCCC2)CC1)C1CCOC1
InChIInChI=1S/C16H27NO2/c18-15(14-4-11-19-13-14)12-17-9-7-16(8-10-17)5-2-1-3-6-16/h14H,1-13H2
InChIKeyWVQAXOUUMLVFQX-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892
1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 104749907
2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236
2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
CID 106836620
N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 131697076
2-[2-(hydroxymethyl)azepan-1-yl]-1-(oxolan-3-yl)ethanone
CID 116635401
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092
(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone
CID 134076233

Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone (CID 104750677) is 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone is O=C(CN1CCC2(CCCCC2)CC1)C1CCOC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is WVQAXOUUMLVFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-15(14-4-11-19-13-14)12-17-9-7-16(8-10-17)5-2-1-3-6-16/h14H,1-13H2.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone?
2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 265.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).