1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

C16H20F2N2O — CID 163317379

IUPAC1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C16H20F2N2O/c1-19-9-3-7-16(15(19)21)8-4-10-20(16)11-12-5-2-6-13(17)14(12)18/h2,5-6H,3-4,7-11H2,1H3
InChIKeyLVAFFROHFJSWFJ-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.55
Rot. Bonds2

About 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163317379) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163317379
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C16H20F2N2O/c1-19-9-3-7-16(15(19)21)8-4-10-20(16)11-12-5-2-6-13(17)14(12)18/h2,5-6H,3-4,7-11H2,1H3
InChIKeyLVAFFROHFJSWFJ-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-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

8-[(2,3-difluorophenyl)methyl]-2-[(2,6-difluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,7-dione
CID 170312147
9-methyl-1-[(4-pyridin-2-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635016
(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124970789
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45245843
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635875
6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64845217
(5S)-7-[(2,3-difluorophenyl)methyl]-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 25372789
1-(1H-indol-4-ylmethyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162637513
1-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162630647
1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162636607
(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one
CID 42364334

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (CID 163317379) is 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2Cc2cccc(F)c2F)C1=O.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is LVAFFROHFJSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-19-9-3-7-16(15(19)21)8-4-10-20(16)11-12-5-2-6-13(17)14(12)18/h2,5-6H,3-4,7-11H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 294.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163317379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).