1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone

C17H22N4O — CID 110130884

IUPAC1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cccc(-c3cnc(C)n3C)n2)C1
InChIInChI=1S/C17H22N4O/c1-12-18-10-17(20(12)3)16-8-4-7-15(19-16)14-6-5-9-21(11-14)13(2)22/h4,7-8,10,14H,5-6,9,11H2,1-3H3
InChIKeyHNQSOEUQDGIUBH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.52
Rot. Bonds2

About 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone

1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110130884) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110130884
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cccc(-c3cnc(C)n3C)n2)C1
InChIInChI=1S/C17H22N4O/c1-12-18-10-17(20(12)3)16-8-4-7-15(19-16)14-6-5-9-21(11-14)13(2)22/h4,7-8,10,14H,5-6,9,11H2,1-3H3
InChIKeyHNQSOEUQDGIUBH-UHFFFAOYSA-N
XLogP2.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
[(3R)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125021197
[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110095314
2-[6-[(3S)-1-acetylpiperidin-3-yl]-2-pyridinyl]benzoic acid
CID 124967509
1-[(3S)-3-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95841313
1-[4-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110130977
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868
2-(2,3-dimethylimidazol-4-yl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazine
CID 125005520
1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825262
1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263
[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone (CID 110130884) is 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2cccc(-c3cnc(C)n3C)n2)C1.
What is the InChIKey of 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is HNQSOEUQDGIUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-18-10-17(20(12)3)16-8-4-7-15(19-16)14-6-5-9-21(11-14)13(2)22/h4,7-8,10,14H,5-6,9,11H2,1-3H3.
What are the key properties of 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110130884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).