2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one

C15H22N2O3 — CID 131926104

IUPAC2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCC3(CCNCC3)C2)cc1=O
InChIInChI=1S/C15H22N2O3/c1-19-14-10-20-12(8-13(14)18)9-17-7-4-15(11-17)2-5-16-6-3-15/h8,10,16H,2-7,9,11H2,1H3
InChIKeyPRGQPBGKCLPOBQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.22
Rot. Bonds3

About 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one

2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one (PubChem CID 131926104) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one
PubChem CID131926104
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCC3(CCNCC3)C2)cc1=O
InChIInChI=1S/C15H22N2O3/c1-19-14-10-20-12(8-13(14)18)9-17-7-4-15(11-17)2-5-16-6-3-15/h8,10,16H,2-7,9,11H2,1H3
InChIKeyPRGQPBGKCLPOBQ-UHFFFAOYSA-N
XLogP1.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,8-diazaspiro[4.5]dec-2-ylcarbonyl)-6-methyl-4H-pyran-4-one
CID 91788854
2-[[4-(Aminomethyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 61787331
5-Hydroxy-2-[[4-(methylaminomethyl)piperidin-1-yl]methyl]pyran-4-one
CID 63248859
2-[[4-(2-Aminoethyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 64025391
5-Hydroxy-2-[[4-[2-(methylamino)ethyl]piperidin-1-yl]methyl]pyran-4-one
CID 64025857
5-Hydroxy-2-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyran-4-one
CID 79714876
5-Hydroxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]pyran-4-one
CID 79714983
2-[[Ethyl(piperidin-4-ylmethyl)amino]methyl]-5-hydroxypyran-4-one
CID 79717059
5-Hydroxy-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyran-4-one
CID 79717191
2-[[4-(Ethylaminomethyl)piperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 80552436
5-Hydroxy-2-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]pyran-4-one
CID 113283060
5-Methoxy-2-[[3-(methylamino)piperidin-1-yl]methyl]pyran-4-one
CID 119919270

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one?
The IUPAC name of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one (CID 131926104) is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one.
What is the SMILES notation for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one?
The canonical SMILES for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one is COc1coc(CN2CCC3(CCNCC3)C2)cc1=O.
What is the InChIKey of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one?
The InChIKey is PRGQPBGKCLPOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14-10-20-12(8-13(14)18)9-17-7-4-15(11-17)2-5-16-6-3-15/h8,10,16H,2-7,9,11H2,1H3.
What are the key properties of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one?
2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one has a molecular weight of 278.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one is sourced from PubChem (CID 131926104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).