8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C16H20N2O3 — CID 58245171

IUPAC8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)c1ccc(CN2CCC3(CC2)NC(=O)CO3)cc1
InChIInChI=1S/C16H20N2O3/c1-12(19)14-4-2-13(3-5-14)10-18-8-6-16(7-9-18)17-15(20)11-21-16/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyLIIZERYAIMAVFQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.33
Rot. Bonds3

About 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one

8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 58245171) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID58245171
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)c1ccc(CN2CCC3(CC2)NC(=O)CO3)cc1
InChIInChI=1S/C16H20N2O3/c1-12(19)14-4-2-13(3-5-14)10-18-8-6-16(7-9-18)17-15(20)11-21-16/h2-5H,6-11H2,1H3,(H,17,20)
InChIKeyLIIZERYAIMAVFQ-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 58245171) is 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one is CC(=O)c1ccc(CN2CCC3(CC2)NC(=O)CO3)cc1.
What is the InChIKey of 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is LIIZERYAIMAVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(19)14-4-2-13(3-5-14)10-18-8-6-16(7-9-18)17-15(20)11-21-16/h2-5H,6-11H2,1H3,(H,17,20).
What are the key properties of 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-acetylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 58245171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).