3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one

C14H18N2O3 — CID 98779521

IUPAC3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
SMILESO=C(CCO)N1C[C@H]2C[C@H]1C[C@H]2Oc1cccnc1
InChIInChI=1S/C14H18N2O3/c17-5-3-14(18)16-9-10-6-11(16)7-13(10)19-12-2-1-4-15-8-12/h1-2,4,8,10-11,13,17H,3,5-7,9H2/t10-,11+,13-/m1/s1
InChIKeyVVFQARYUZBMRIV-NTZNESFSSA-N
MW262.31 g/mol
LogP0.83
Rot. Bonds4

About 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one

3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one (PubChem CID 98779521) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
PubChem CID98779521
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
SMILESO=C(CCO)N1C[C@H]2C[C@H]1C[C@H]2Oc1cccnc1
InChIInChI=1S/C14H18N2O3/c17-5-3-14(18)16-9-10-6-11(16)7-13(10)19-12-2-1-4-15-8-12/h1-2,4,8,10-11,13,17H,3,5-7,9H2/t10-,11+,13-/m1/s1
InChIKeyVVFQARYUZBMRIV-NTZNESFSSA-N
XLogP0.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

4-oxo-4-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]butanoic acid
CID 98779519
2-[[(5S)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-thiazole
CID 131641785
(3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 131691328
1-[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-phenoxyethanone
CID 110131214
4-bromo-1-(3-pyridin-3-yloxyazetidin-1-yl)butan-1-one
CID 110208407
3-[(1S,4R,5R)-5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptane-2-carbonyl]benzonitrile
CID 124784272
5-methoxy-N-(pyridin-3-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155840705
1-(5-prop-2-enoxy-2-azabicyclo[2.2.1]heptan-2-yl)-3-pyrimidin-5-ylpropan-1-one
CID 131683948
methyl (2R,4S)-2-methyl-4-pyridin-3-yloxypyrrolidine-1-carboxylate
CID 57169816
2-[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-piperidin-1-ylethanone
CID 110131181
1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-3-methoxypropan-1-one
CID 124798783
2-methoxy-3-pyridin-3-yloxycyclobutan-1-ol
CID 104673708

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one?
The IUPAC name of 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one (CID 98779521) is 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one.
What is the SMILES notation for 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one?
The canonical SMILES for 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one is O=C(CCO)N1C[C@H]2C[C@H]1C[C@H]2Oc1cccnc1.
What is the InChIKey of 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one?
The InChIKey is VVFQARYUZBMRIV-NTZNESFSSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-5-3-14(18)16-9-10-6-11(16)7-13(10)19-12-2-1-4-15-8-12/h1-2,4,8,10-11,13,17H,3,5-7,9H2/t10-,11+,13-/m1/s1.
What are the key properties of 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one?
3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one has a molecular weight of 262.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(1S,4R,5R)-5-pyridin-3-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one is sourced from PubChem (CID 98779521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).