(5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone

C19H20N2O2 — CID 164637967

IUPAC(5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1cncc(O)c1)N1CC2(CCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-16-10-15(11-20-12-16)18(23)21-13-19(8-4-5-9-19)17(21)14-6-2-1-3-7-14/h1-3,6-7,10-12,17,22H,4-5,8-9,13H2/t17-/m1/s1
InChIKeyUFUJCXIQZICDMO-QGZVFWFLSA-N
MW308.38 g/mol
LogP3.54
Rot. Bonds2

About (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone

(5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 164637967) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID164637967
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
SMILESO=C(c1cncc(O)c1)N1CC2(CCCC2)[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-16-10-15(11-20-12-16)18(23)21-13-19(8-4-5-9-19)17(21)14-6-2-1-3-7-14/h1-3,6-7,10-12,17,22H,4-5,8-9,13H2/t17-/m1/s1
InChIKeyUFUJCXIQZICDMO-QGZVFWFLSA-N
XLogP3.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone (CID 164637967) is (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone is O=C(c1cncc(O)c1)N1CC2(CCCC2)[C@H]1c1ccccc1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is UFUJCXIQZICDMO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-16-10-15(11-20-12-16)18(23)21-13-19(8-4-5-9-19)17(21)14-6-2-1-3-7-14/h1-3,6-7,10-12,17,22H,4-5,8-9,13H2/t17-/m1/s1.
What are the key properties of (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone?
(5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 164637967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).