1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone

C17H19N3O2 — CID 95825262

IUPAC1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cccc(Oc3cccnc3)n2)C1
InChIInChI=1S/C17H19N3O2/c1-13(21)20-10-4-5-14(12-20)16-7-2-8-17(19-16)22-15-6-3-9-18-11-15/h2-3,6-9,11,14H,4-5,10,12H2,1H3/t14-/m0/s1
InChIKeySTNOOVUWXHLHLT-AWEZNQCLSA-N
MW297.36 g/mol
LogP2.99
Rot. Bonds3

About 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone

1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 95825262) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
PubChem CID95825262
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](c2cccc(Oc3cccnc3)n2)C1
InChIInChI=1S/C17H19N3O2/c1-13(21)20-10-4-5-14(12-20)16-7-2-8-17(19-16)22-15-6-3-9-18-11-15/h2-3,6-9,11,14H,4-5,10,12H2,1H3/t14-/m0/s1
InChIKeySTNOOVUWXHLHLT-AWEZNQCLSA-N
XLogP2.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
1-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95821984
2-piperidin-3-yl-6-pyridin-3-yloxypyridine
CID 110082260
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
1-[4-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95844190
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3S)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95844058
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95844059
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone (CID 95825262) is 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2cccc(Oc3cccnc3)n2)C1.
What is the InChIKey of 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is STNOOVUWXHLHLT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13(21)20-10-4-5-14(12-20)16-7-2-8-17(19-16)22-15-6-3-9-18-11-15/h2-3,6-9,11,14H,4-5,10,12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone?
1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 297.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95825262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).