9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C21H29FN2O2 — CID 66722375

IUPAC9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(F)cc1N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C21H29FN2O2/c1-15-3-4-16(22)13-19(15)23-11-2-9-21(14-23)10-12-24(20(21)26)17-5-7-18(25)8-6-17/h3-4,13,17-18,25H,2,5-12,14H2,1H3
InChIKeyVMGXLFILVSFBDE-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.26
Rot. Bonds2

About 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 66722375) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID66722375
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccc(F)cc1N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C21H29FN2O2/c1-15-3-4-16(22)13-19(15)23-11-2-9-21(14-23)10-12-24(20(21)26)17-5-7-18(25)8-6-17/h3-4,13,17-18,25H,2,5-12,14H2,1H3
InChIKeyVMGXLFILVSFBDE-UHFFFAOYSA-N
XLogP3.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 66722375) is 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is Cc1ccc(F)cc1N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1.
What is the InChIKey of 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is VMGXLFILVSFBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-15-3-4-16(22)13-19(15)23-11-2-9-21(14-23)10-12-24(20(21)26)17-5-7-18(25)8-6-17/h3-4,13,17-18,25H,2,5-12,14H2,1H3.
What are the key properties of 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 360.47 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoro-2-methylphenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 66722375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).