2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one

C18H24F2N2O — CID 72884752

IUPAC2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C18H24F2N2O/c1-13(2)21-5-3-18(4-6-21)10-17(23)22(12-18)11-14-7-15(19)9-16(20)8-14/h7-9,13H,3-6,10-12H2,1-2H3
InChIKeyZNAHWZLWISAIOX-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.19
Rot. Bonds3

About 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one

2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72884752) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72884752
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C18H24F2N2O/c1-13(2)21-5-3-18(4-6-21)10-17(23)22(12-18)11-14-7-15(19)9-16(20)8-14/h7-9,13H,3-6,10-12H2,1-2H3
InChIKeyZNAHWZLWISAIOX-UHFFFAOYSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclohexane-1-carboxamide
CID 121446676
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446757
N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446778
N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446782
N-[(2,5-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446783
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 121446847
N,2,2-Trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446878
N-[(4-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446902
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851918

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one (CID 72884752) is 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one is CC(C)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZNAHWZLWISAIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O/c1-13(2)21-5-3-18(4-6-21)10-17(23)22(12-18)11-14-7-15(19)9-16(20)8-14/h7-9,13H,3-6,10-12H2,1-2H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one?
2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 322.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-8-propan-2-yl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72884752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).