8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C20H28N2O3 — CID 70737100

IUPAC8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(C2(CN3CCC4(CC3)CNC(=O)C4)CCOC2)c1
InChIInChI=1S/C20H28N2O3/c1-24-17-4-2-3-16(11-17)20(7-10-25-15-20)14-22-8-5-19(6-9-22)12-18(23)21-13-19/h2-4,11H,5-10,12-15H2,1H3,(H,21,23)
InChIKeyQHCSLPMLDSTIKV-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.96
Rot. Bonds4

About 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70737100) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70737100
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(C2(CN3CCC4(CC3)CNC(=O)C4)CCOC2)c1
InChIInChI=1S/C20H28N2O3/c1-24-17-4-2-3-16(11-17)20(7-10-25-15-20)14-22-8-5-19(6-9-22)12-18(23)21-13-19/h2-4,11H,5-10,12-15H2,1H3,(H,21,23)
InChIKeyQHCSLPMLDSTIKV-UHFFFAOYSA-N
XLogP1.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70737100) is 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is COc1cccc(C2(CN3CCC4(CC3)CNC(=O)C4)CCOC2)c1.
What is the InChIKey of 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QHCSLPMLDSTIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-17-4-2-3-16(11-17)20(7-10-25-15-20)14-22-8-5-19(6-9-22)12-18(23)21-13-19/h2-4,11H,5-10,12-15H2,1H3,(H,21,23).
What are the key properties of 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 344.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70737100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).