8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

C19H26FN3O2 — CID 16739623

IUPAC8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(c1ccncc1F)CC2
InChIInChI=1S/C19H26FN3O2/c20-16-13-21-9-5-17(16)22-10-6-19(7-11-22)8-12-23(18(19)25)14-1-3-15(24)4-2-14/h5,9,13-15,24H,1-4,6-8,10-12H2
InChIKeyJEBREECGFVAYBG-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.34
Rot. Bonds2

About 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 16739623) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID16739623
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(c1ccncc1F)CC2
InChIInChI=1S/C19H26FN3O2/c20-16-13-21-9-5-17(16)22-10-6-19(7-11-22)8-12-23(18(19)25)14-1-3-15(24)4-2-14/h5,9,13-15,24H,1-4,6-8,10-12H2
InChIKeyJEBREECGFVAYBG-UHFFFAOYSA-N
XLogP2.34
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (CID 16739623) is 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCN(c1ccncc1F)CC2.
What is the InChIKey of 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JEBREECGFVAYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-13-21-9-5-17(16)22-10-6-19(7-11-22)8-12-23(18(19)25)14-1-3-15(24)4-2-14/h5,9,13-15,24H,1-4,6-8,10-12H2.
What are the key properties of 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 347.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 16739623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).