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

C15H24Cl2N2O3 — CID 154908349

IUPAC2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride
SMILESCOc1coc(CN2CCC3(CCNCC3)C2)cc1=O.Cl.Cl
InChIInChI=1S/C15H22N2O3.2ClH/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;2*1H
InChIKeyUKOMSPDXBPCFFJ-UHFFFAOYSA-N
MW351.27 g/mol
LogP2.07
Rot. Bonds3

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

2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride (PubChem CID 154908349) has the molecular formula C15H24Cl2N2O3 and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride.

Molecular Properties

Compound Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride
PubChem CID154908349
Molecular FormulaC15H24Cl2N2O3
Molecular Weight351.27 g/mol
Exact Mass350.12
IUPAC Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride
SMILESCOc1coc(CN2CCC3(CCNCC3)C2)cc1=O.Cl.Cl
InChIInChI=1S/C15H22N2O3.2ClH/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;2*1H
InChIKeyUKOMSPDXBPCFFJ-UHFFFAOYSA-N
XLogP2.07
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride?
The IUPAC name of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride (CID 154908349) is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride.
What is the SMILES notation for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride?
The canonical SMILES for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride is COc1coc(CN2CCC3(CCNCC3)C2)cc1=O.Cl.Cl.
What is the InChIKey of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride?
The InChIKey is UKOMSPDXBPCFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.2ClH/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;2*1H.
What are the key properties of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride?
2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-5-methoxypyran-4-one;dihydrochloride has a molecular weight of 351.27 g/mol, XLogP of 2.07, 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;dihydrochloride is sourced from PubChem (CID 154908349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).