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

C13H15FN2O2 — CID 115067165

IUPAC1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCNC2)N1Cc1ccccc1F
InChIInChI=1S/C13H15FN2O2/c14-11-4-2-1-3-10(11)7-16-12(17)18-9-13(16)5-6-15-8-13/h1-4,15H,5-9H2
InChIKeyYTSVTBXYPWKDQT-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.51
Rot. Bonds2

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

1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (PubChem CID 115067165) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
PubChem CID115067165
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1OCC2(CCNC2)N1Cc1ccccc1F
InChIInChI=1S/C13H15FN2O2/c14-11-4-2-1-3-10(11)7-16-12(17)18-9-13(16)5-6-15-8-13/h1-4,15H,5-9H2
InChIKeyYTSVTBXYPWKDQT-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-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)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 84798050
1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 115067200
2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074394
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979559
4-methyl-3-[(2-methylphenyl)methyl]-4-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064180
6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64845217
(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
CID 97114338
1-benzyl-1,7-diazaspiro[3.4]octane
CID 71302050
1-[(2-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007161
5-[(2-fluorophenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine];dihydrochloride
CID 171687638
4-(2-aminoethyl)-3-[(2-bromophenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 115064492

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one (CID 115067165) is 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is O=C1OCC2(CCNC2)N1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is YTSVTBXYPWKDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-11-4-2-1-3-10(11)7-16-12(17)18-9-13(16)5-6-15-8-13/h1-4,15H,5-9H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one?
1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 250.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-oxa-1,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 115067165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).