9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H27FN2O2 — CID 155985840

IUPAC9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(C3CCCCC3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C20H27FN2O2/c21-16-6-8-18(9-7-16)23-15-20(25-14-19(23)24)10-12-22(13-11-20)17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2
InChIKeyYIAJJNMHEPZOKT-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.36
Rot. Bonds2

About 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 155985840) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID155985840
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(C3CCCCC3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C20H27FN2O2/c21-16-6-8-18(9-7-16)23-15-20(25-14-19(23)24)10-12-22(13-11-20)17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2
InChIKeyYIAJJNMHEPZOKT-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 155985840) is 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(C3CCCCC3)CC2)CN1c1ccc(F)cc1.
What is the InChIKey of 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YIAJJNMHEPZOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-16-6-8-18(9-7-16)23-15-20(25-14-19(23)24)10-12-22(13-11-20)17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2.
What are the key properties of 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.45 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155985840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).