8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one

C22H31FN2O — CID 11417036

IUPAC8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCC1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C22H31FN2O/c1-2-21(10-4-3-5-11-21)25-14-12-22(13-15-25)19(16-24-20(22)26)17-6-8-18(23)9-7-17/h6-9,19H,2-5,10-16H2,1H3,(H,24,26)
InChIKeyXIZQCMRURAZCEL-UHFFFAOYSA-N
MW358.50 g/mol
LogP4.23
Rot. Bonds3

About 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one

8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11417036) has the molecular formula C22H31FN2O and a molecular weight of 358.50 g/mol. Its IUPAC name is 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11417036
Molecular FormulaC22H31FN2O
Molecular Weight358.50 g/mol
Exact Mass358.24
IUPAC Name8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCC1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C22H31FN2O/c1-2-21(10-4-3-5-11-21)25-14-12-22(13-15-25)19(16-24-20(22)26)17-6-8-18(23)9-7-17/h6-9,19H,2-5,10-16H2,1H3,(H,24,26)
InChIKeyXIZQCMRURAZCEL-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-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

N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
Fenpiverinium
CID 71490
(2S,3S)-2-amino-3-(4''-fluorobiphenyl-4-yl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 9884543
Nppcc, (-)-
CID 10087023
3-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanamide
CID 44233188
3-[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanamide iodide
CID 44233929
(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203033
(4R,5R)-5-amino-1-(3-phenylpropyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204464
(4R,5R)-5-amino-1-[(2S)-2-phenylpropyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204465
Phenylalanine derived inhibitor, 4
CID 23647692
N-methyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776411
4-Phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776413

Frequently Asked Questions

What is the IUPAC name of 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one (CID 11417036) is 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one is CCC1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XIZQCMRURAZCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O/c1-2-21(10-4-3-5-11-21)25-14-12-22(13-15-25)19(16-24-20(22)26)17-6-8-18(23)9-7-17/h6-9,19H,2-5,10-16H2,1H3,(H,24,26).
What are the key properties of 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 358.50 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethylcyclohexyl)-4-(4-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11417036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).