3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C15H20N2O2 — CID 77058995

IUPAC3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-14-17(11-13-5-2-1-3-6-13)12-15(19-14)7-4-9-16-10-8-15/h1-3,5-6,16H,4,7-12H2
InChIKeyDKAIOSIWTZXFKJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.15
Rot. Bonds2

About 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 77058995) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID77058995
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1OC2(CCCNCC2)CN1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-14-17(11-13-5-2-1-3-6-13)12-15(19-14)7-4-9-16-10-8-15/h1-3,5-6,16H,4,7-12H2
InChIKeyDKAIOSIWTZXFKJ-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366
3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72923701
3-(1,3-benzothiazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72881914
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-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 115067319
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72859179
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 141312567
3-(2-phenylethyl)-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70768119
(5S)-3-benzyl-9-[2-(pyrrolidin-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124977860
3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 131262021
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 77058995) is 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1OC2(CCCNCC2)CN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is DKAIOSIWTZXFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-17(11-13-5-2-1-3-6-13)12-15(19-14)7-4-9-16-10-8-15/h1-3,5-6,16H,4,7-12H2.
What are the key properties of 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 77058995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).