1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one

C14H18N2O2 — CID 115067200

IUPAC1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCNCC2)N1Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-13-16(10-12-4-2-1-3-5-12)14(11-18-13)6-8-15-9-7-14/h1-5,15H,6-11H2
InChIKeyGXJDCVINOXLWPY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.76
Rot. Bonds2

About 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one

1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 115067200) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
PubChem CID115067200
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCNCC2)N1Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c17-13-16(10-12-4-2-1-3-5-12)14(11-18-13)6-8-15-9-7-14/h1-5,15H,6-11H2
InChIKeyGXJDCVINOXLWPY-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 115067165
1-benzyl-7-(1H-pyrazol-5-ylmethyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 134810617
4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 46195333
1-[(4-hydroxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
CID 115067053
1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
CID 115067279
(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
CID 97114338
1-benzyl-1,7-diazaspiro[3.4]octane
CID 71302050
3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 42805958
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
CID 146064547

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one (CID 115067200) is 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one is O=C1OCC2(CCNCC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GXJDCVINOXLWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13-16(10-12-4-2-1-3-5-12)14(11-18-13)6-8-15-9-7-14/h1-5,15H,6-11H2.
What are the key properties of 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 115067200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).