9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H31FN2O2 — CID 70738842

IUPAC9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C22H31FN2O2/c23-18-3-1-17(2-4-18)15-24-13-11-22(12-14-24)10-9-21(27)25(16-22)19-5-7-20(26)8-6-19/h1-4,19-20,26H,5-16H2
InChIKeyYGOHAECEUPQFPV-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.33
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70738842) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70738842
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC Name9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C22H31FN2O2/c23-18-3-1-17(2-4-18)15-24-13-11-22(12-14-24)10-9-21(27)25(16-22)19-5-7-20(26)8-6-19/h1-4,19-20,26H,5-16H2
InChIKeyYGOHAECEUPQFPV-UHFFFAOYSA-N
XLogP3.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzyl-6-hydroxy-2-azabicyclo(2.2.2)octan-3-one
CID 2802924
9-(3,5-Difluorobenzyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713827
[3-(Cyclobutylcarbonyl)-9-(2-fluorobenzyl)-3,9-diazaspiro[5.5]undec-1-yl]methanol
CID 74246916
1-(2-Fluorobenzyl)-3-hydroxy-3-{[(trans-4-hydroxycyclohexyl)amino]methyl}-2-piperidinone
CID 45200973
1-(2-Fluorobenzyl)-5-{[4-(2-hydroxyethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 45250129
2-(trans-4-hydroxycyclohexyl)-9-[(2E)-3-phenylprop-2-en-1-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70722760
2-(trans-4-Hydroxycyclohexyl)-9-(4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72921698
1-Benzyl-5-(3,4-difluorophenyl)-5-(2-hydroxyethyl)piperidin-2-one
CID 21840080
6-(4-Fluorophenyl)-3-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 58122462
(4R)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 67104500
4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 67104501
(4S)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(3-hydroxypropyl)-4-propan-2-ylpiperidin-2-one
CID 67104504

Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70738842) is 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)CN1C1CCC(O)CC1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YGOHAECEUPQFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O2/c23-18-3-1-17(2-4-18)15-24-13-11-22(12-14-24)10-9-21(27)25(16-22)19-5-7-20(26)8-6-19/h1-4,19-20,26H,5-16H2.
What are the key properties of 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.50 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70738842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).