1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone

C21H30N2O2 — CID 155957956

IUPAC1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone
SMILESO=C(C1CCCCC1c1cccnc1)N1CCCC2(CCCO2)CC1
InChIInChI=1S/C21H30N2O2/c24-20(23-13-4-9-21(11-14-23)10-5-15-25-21)19-8-2-1-7-18(19)17-6-3-12-22-16-17/h3,6,12,16,18-19H,1-2,4-5,7-11,13-15H2
InChIKeyPKRNQYUHWUXUJG-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.92
Rot. Bonds2

About 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone

1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone (PubChem CID 155957956) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone.

Molecular Properties

Compound Name1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone
PubChem CID155957956
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone
SMILESO=C(C1CCCCC1c1cccnc1)N1CCCC2(CCCO2)CC1
InChIInChI=1S/C21H30N2O2/c24-20(23-13-4-9-21(11-14-23)10-5-15-25-21)19-8-2-1-7-18(19)17-6-3-12-22-16-17/h3,6,12,16,18-19H,1-2,4-5,7-11,13-15H2
InChIKeyPKRNQYUHWUXUJG-UHFFFAOYSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylcyclohexyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 156607968
1-oxa-8-azaspiro[4.5]decan-8-yl-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72934930
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(1S,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 97012499
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
1-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]quinoxalin-2-one
CID 72919012
[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 97488429
3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 150037575
(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134701916
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
CID 126432712
(1-ethylpyrazol-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74236184

Frequently Asked Questions

What is the IUPAC name of 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone?
The IUPAC name of 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone (CID 155957956) is 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone.
What is the SMILES notation for 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone?
The canonical SMILES for 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone is O=C(C1CCCCC1c1cccnc1)N1CCCC2(CCCO2)CC1.
What is the InChIKey of 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone?
The InChIKey is PKRNQYUHWUXUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(23-13-4-9-21(11-14-23)10-5-15-25-21)19-8-2-1-7-18(19)17-6-3-12-22-16-17/h3,6,12,16,18-19H,1-2,4-5,7-11,13-15H2.
What are the key properties of 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone?
1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone has a molecular weight of 342.48 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-9-azaspiro[4.6]undecan-9-yl-(2-pyridin-3-ylcyclohexyl)methanone is sourced from PubChem (CID 155957956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).