9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C20H27FN2O2 — CID 11624388

IUPAC9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1cccc(F)c1)C2
InChIInChI=1S/C20H27FN2O2/c21-15-3-1-4-17(13-15)22-11-2-9-20(14-22)10-12-23(19(20)25)16-5-7-18(24)8-6-16/h1,3-4,13,16,18,24H,2,5-12,14H2
InChIKeyUEHGWRVNJSMWMP-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.95
Rot. Bonds2

About 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11624388) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11624388
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1cccc(F)c1)C2
InChIInChI=1S/C20H27FN2O2/c21-15-3-1-4-17(13-15)22-11-2-9-20(14-22)10-12-23(19(20)25)16-5-7-18(24)8-6-16/h1,3-4,13,16,18,24H,2,5-12,14H2
InChIKeyUEHGWRVNJSMWMP-UHFFFAOYSA-N
XLogP2.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 11624388) is 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCCN(c1cccc(F)c1)C2.
What is the InChIKey of 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is UEHGWRVNJSMWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-15-3-1-4-17(13-15)22-11-2-9-20(14-22)10-12-23(19(20)25)16-5-7-18(24)8-6-16/h1,3-4,13,16,18,24H,2,5-12,14H2.
What are the key properties of 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 346.45 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11624388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).