3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C15H17F3N2O4 — CID 72919559

IUPAC3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)9-2-1-8(12(23)19-9)13(24)20-5-3-14(4-6-20)10(21)7-11(14)22/h1-2,10-11,21-22H,3-7H2,(H,19,23)/t10-,11+
InChIKeyVWYYWEIEAQTLID-PHIMTYICSA-N
MW346.31 g/mol
LogP0.74
Rot. Bonds1

About 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 72919559) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID72919559
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)9-2-1-8(12(23)19-9)13(24)20-5-3-14(4-6-20)10(21)7-11(14)22/h1-2,10-11,21-22H,3-7H2,(H,19,23)/t10-,11+
InChIKeyVWYYWEIEAQTLID-PHIMTYICSA-N
XLogP0.74
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 72919559) is 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O.
What is the InChIKey of 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is VWYYWEIEAQTLID-PHIMTYICSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c16-15(17,18)9-2-1-8(12(23)19-9)13(24)20-5-3-14(4-6-20)10(21)7-11(14)22/h1-2,10-11,21-22H,3-7H2,(H,19,23)/t10-,11+.
What are the key properties of 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 346.31 g/mol, XLogP of 0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 72919559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).