2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one

C17H22F2N2O — CID 70728701

IUPAC2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2
InChIInChI=1S/C17H22F2N2O/c1-2-20-7-5-17(6-8-20)10-16(22)21(12-17)11-13-3-4-14(18)15(19)9-13/h3-4,9H,2,5-8,10-12H2,1H3
InChIKeyRBCAPSHYOXLCMV-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.80
Rot. Bonds3

About 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one

2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70728701) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70728701
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC Name2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2
InChIInChI=1S/C17H22F2N2O/c1-2-20-7-5-17(6-8-20)10-16(22)21(12-17)11-13-3-4-14(18)15(19)9-13/h3-4,9H,2,5-8,10-12H2,1H3
InChIKeyRBCAPSHYOXLCMV-UHFFFAOYSA-N
XLogP2.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 82930927
2-[(3,4-difluorophenyl)methyl]-8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70737867
2-[2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanamide
CID 70721948
2-[(3,4-difluorophenyl)methyl]-8-(oxolan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70757546
2-[(3,4-difluorophenyl)methyl]-8-(3-methylsulfanylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70721853
1-[(3,4-difluorophenyl)methyl]-4-ethyl-1,4-diazepan-5-one
CID 42366284
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70783678
2-[(3,5-difluorophenyl)methyl]-8-[(2R)-2-hydroxypropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97274757
2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97276894
2-[(3,5-difluorophenyl)methyl]-8-propylsulfonyl-2,8-diazaspiro[4.5]decan-3-one
CID 72904883
7-[(3,4-difluorophenyl)methyl]-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45200848
(5R)-7-[(3,4-difluorophenyl)methyl]-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25284014

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 70728701) is 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RBCAPSHYOXLCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c1-2-20-7-5-17(6-8-20)10-16(22)21(12-17)11-13-3-4-14(18)15(19)9-13/h3-4,9H,2,5-8,10-12H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 308.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70728701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).