1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one

C18H31NO2 — CID 102898109

IUPAC1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H31NO2/c1-15(20)13-16-7-3-6-12-19(16)14-17-8-11-18(21-17)9-4-2-5-10-18/h16-17H,2-14H2,1H3
InChIKeyJFANPKOWIJKFCX-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.70
Rot. Bonds4

About 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one

1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one (PubChem CID 102898109) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one
PubChem CID102898109
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H31NO2/c1-15(20)13-16-7-3-6-12-19(16)14-17-8-11-18(21-17)9-4-2-5-10-18/h16-17H,2-14H2,1H3
InChIKeyJFANPKOWIJKFCX-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R,5S)-9-(cyclohexanecarbonyl)-1-oxa-9-azaspiro[4.5]decan-2-yl]butan-2-one
CID 60160374
ethyl 3-[(2R,5S)-9-cyclohexyl-1-oxa-9-azaspiro[4.5]decan-2-yl]propanoate
CID 60160423
3-[(2R,5S)-9-cyclohexyl-1-oxa-9-azaspiro[4.5]decan-2-yl]-N,N-diethylpropanamide
CID 60160425
4-[(2S,5S)-9-(cyclohexanecarbonyl)-1-oxa-9-azaspiro[4.5]decan-2-yl]butan-2-one
CID 60160361
1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone
CID 170366511
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-4-propylcyclohexan-1-one
CID 66369418
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-ethylcyclohexyl)methanone
CID 79078019
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-ethylheptan-1-one
CID 79087056
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-ethylcyclohexyl)methanone
CID 79087362
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3,5-dimethylcyclohexyl)methanone
CID 79087837
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-methylcyclohexyl)methanone
CID 79087922
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclohexyl)methanone
CID 79087925

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one (CID 102898109) is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one?
The InChIKey is JFANPKOWIJKFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(20)13-16-7-3-6-12-19(16)14-17-8-11-18(21-17)9-4-2-5-10-18/h16-17H,2-14H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one?
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one has a molecular weight of 293.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 102898109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).