(5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C19H26FN3O2 — CID 58653301

IUPAC(5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ccncc1F)C2
InChIInChI=1S/C19H26FN3O2/c20-16-12-21-9-6-17(16)22-10-1-7-19(13-22)8-11-23(18(19)25)14-2-4-15(24)5-3-14/h6,9,12,14-15,24H,1-5,7-8,10-11,13H2/t14?,15?,19-/m1/s1
InChIKeyYNSNGMSXFDZWEM-JFIBYHEFSA-N
MW347.43 g/mol
LogP2.34
Rot. Bonds2

About (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653301) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653301
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ccncc1F)C2
InChIInChI=1S/C19H26FN3O2/c20-16-12-21-9-6-17(16)22-10-1-7-19(13-22)8-11-23(18(19)25)14-2-4-15(24)5-3-14/h6,9,12,14-15,24H,1-5,7-8,10-11,13H2/t14?,15?,19-/m1/s1
InChIKeyYNSNGMSXFDZWEM-JFIBYHEFSA-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 (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 58653301) is (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ccncc1F)C2.
What is the InChIKey of (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is YNSNGMSXFDZWEM-JFIBYHEFSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-12-21-9-6-17(16)22-10-1-7-19(13-22)8-11-23(18(19)25)14-2-4-15(24)5-3-14/h6,9,12,14-15,24H,1-5,7-8,10-11,13H2/t14?,15?,19-/m1/s1.
What are the key properties of (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-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 (5R)-9-(3-fluoro-4-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).