1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone

C16H28N2O2 — CID 127687052

IUPAC1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCOCC12CCCC2
InChIInChI=1S/C16H28N2O2/c1-14-6-2-5-9-18(14)15(19)12-17-10-11-20-13-16(17)7-3-4-8-16/h14H,2-13H2,1H3
InChIKeyXOAPKNBTXYDHAB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.03
Rot. Bonds2

About 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone

1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone (PubChem CID 127687052) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
PubChem CID127687052
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCOCC12CCCC2
InChIInChI=1S/C16H28N2O2/c1-14-6-2-5-9-18(14)15(19)12-17-10-11-20-13-16(17)7-3-4-8-16/h14H,2-13H2,1H3
InChIKeyXOAPKNBTXYDHAB-UHFFFAOYSA-N
XLogP2.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile
CID 97056228
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
2-(1,4-diazaspiro[5.5]undecan-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119933510
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
(2S)-3-methyl-2-[4-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)acetyl]piperazin-1-yl]butanenitrile
CID 98569972
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 107408374
2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
CID 79854226
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone (CID 127687052) is 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone is CC1CCCCN1C(=O)CN1CCOCC12CCCC2.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone?
The InChIKey is XOAPKNBTXYDHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-14-6-2-5-9-18(14)15(19)12-17-10-11-20-13-16(17)7-3-4-8-16/h14H,2-13H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone?
1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone has a molecular weight of 280.41 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone is sourced from PubChem (CID 127687052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).