2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H28F2N2O — CID 45171184

IUPAC2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccc(F)c(F)c2)CCCC12CCN(C1CCCCC1)C2
InChIInChI=1S/C21H28F2N2O/c22-18-8-7-16(13-19(18)23)14-24-11-4-9-21(20(24)26)10-12-25(15-21)17-5-2-1-3-6-17/h7-8,13,17H,1-6,9-12,14-15H2
InChIKeyVYBZBRVOTRHHCS-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.11
Rot. Bonds3

About 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45171184) has the molecular formula C21H28F2N2O and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45171184
Molecular FormulaC21H28F2N2O
Molecular Weight362.46 g/mol
Exact Mass362.22
IUPAC Name2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(Cc2ccc(F)c(F)c2)CCCC12CCN(C1CCCCC1)C2
InChIInChI=1S/C21H28F2N2O/c22-18-8-7-16(13-19(18)23)14-24-11-4-9-21(20(24)26)10-12-25(15-21)17-5-2-1-3-6-17/h7-8,13,17H,1-6,9-12,14-15H2
InChIKeyVYBZBRVOTRHHCS-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.11
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
2,8-Dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione
CID 1043268
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
4-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 9804326
3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901493
N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851890
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851896
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851918
8-Benzoyl-2-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168282338
8-Benzoyl-2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168288159

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45171184) is 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C1N(Cc2ccc(F)c(F)c2)CCCC12CCN(C1CCCCC1)C2.
What is the InChIKey of 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VYBZBRVOTRHHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N2O/c22-18-8-7-16(13-19(18)23)14-24-11-4-9-21(20(24)26)10-12-25(15-21)17-5-2-1-3-6-17/h7-8,13,17H,1-6,9-12,14-15H2.
What are the key properties of 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45171184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).