1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone

C14H24N2O2 — CID 155879884

IUPAC1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(N1CCCC1)CO2
InChIInChI=1S/C14H24N2O2/c1-12(17)15-8-4-14(5-9-15)10-13(11-18-14)16-6-2-3-7-16/h13H,2-11H2,1H3
InChIKeyBVXBASRPPAMFQB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.25
Rot. Bonds1

About 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone

1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 155879884) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID155879884
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(N1CCCC1)CO2
InChIInChI=1S/C14H24N2O2/c1-12(17)15-8-4-14(5-9-15)10-13(11-18-14)16-6-2-3-7-16/h13H,2-11H2,1H3
InChIKeyBVXBASRPPAMFQB-UHFFFAOYSA-N
XLogP1.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 17088050
(4-methylphenyl)-[(3S)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385574
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
[4-(dimethylamino)phenyl]-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131648723
(3S)-8-ethylsulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371322
(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134080148
1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
CID 91924298
(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
CID 167264877
1-[(4R)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462429
1-[(3R)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477702
(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371319
(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385582

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 155879884) is 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone is CC(=O)N1CCC2(CC1)CC(N1CCCC1)CO2.
What is the InChIKey of 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is BVXBASRPPAMFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(17)15-8-4-14(5-9-15)10-13(11-18-14)16-6-2-3-7-16/h13H,2-11H2,1H3.
What are the key properties of 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone?
1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 252.36 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 155879884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).