3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C14H18N2O3 — CID 115067319

IUPAC3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCOc1ccc(CN2CC3(CCNC3)OC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-18-12-4-2-11(3-5-12)8-16-10-14(19-13(16)17)6-7-15-9-14/h2-5,15H,6-10H2,1H3
InChIKeyYNTDMJQCYLVGBD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 115067319) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID115067319
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCOc1ccc(CN2CC3(CCNC3)OC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-18-12-4-2-11(3-5-12)8-16-10-14(19-13(16)17)6-7-15-9-14/h2-5,15H,6-10H2,1H3
InChIKeyYNTDMJQCYLVGBD-UHFFFAOYSA-N
XLogP1.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115064763
3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
CID 89394608
CID 89394608
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
[(5S,7S)-3-[(4-methoxyphenyl)methyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl methanesulfonate
CID 89389464
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122
7-(aminomethyl)-7-(butoxymethyl)-3-[(4-methoxyphenyl)methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 78032320
3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24983793
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
3-[[4-[2-(methoxymethyl)phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24983792
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 115067319) is 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is COc1ccc(CN2CC3(CCNC3)OC2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is YNTDMJQCYLVGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-12-4-2-11(3-5-12)8-16-10-14(19-13(16)17)6-7-15-9-14/h2-5,15H,6-10H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 115067319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).