3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane

C20H31N3O — CID 97450333

IUPAC3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CC2)CCN(C2CCOCC2)CC3)nc1
InChIInChI=1S/C20H31N3O/c1-2-10-21-18(3-1)17-22-11-6-20(7-12-22)8-13-23(14-9-20)19-4-15-24-16-5-19/h1-3,10,19H,4-9,11-17H2
InChIKeyIKNOHEYXJSFVKT-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.94
Rot. Bonds3

About 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane

3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 97450333) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
PubChem CID97450333
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCC3(CC2)CCN(C2CCOCC2)CC3)nc1
InChIInChI=1S/C20H31N3O/c1-2-10-21-18(3-1)17-22-11-6-20(7-12-22)8-13-23(14-9-20)19-4-15-24-16-5-19/h1-3,10,19H,4-9,11-17H2
InChIKeyIKNOHEYXJSFVKT-UHFFFAOYSA-N
XLogP2.94
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
2-(oxan-4-yl)-10-(pyridin-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131657279
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-4-ol
CID 70721365
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97450345
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
(3R)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965583
(3S)-3,8-bis(pyridin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124965584
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
2-[[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370593

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane (CID 97450333) is 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane is c1ccc(CN2CCC3(CC2)CCN(C2CCOCC2)CC3)nc1.
What is the InChIKey of 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is IKNOHEYXJSFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-2-10-21-18(3-1)17-22-11-6-20(7-12-22)8-13-23(14-9-20)19-4-15-24-16-5-19/h1-3,10,19H,4-9,11-17H2.
What are the key properties of 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane?
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 329.49 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).