1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone

C15H18N4O2 — CID 155790750

IUPAC1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-8-5-12(6-9-19)21-13-2-3-14(16-10-13)15-4-7-17-18-15/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyLSANYLYYQMSXQA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.86
Rot. Bonds3

About 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone

1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone (PubChem CID 155790750) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone
PubChem CID155790750
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-8-5-12(6-9-19)21-13-2-3-14(16-10-13)15-4-7-17-18-15/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyLSANYLYYQMSXQA-UHFFFAOYSA-N
XLogP1.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone (CID 155790750) is 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2ccc(-c3ccn[nH]3)nc2)CC1.
What is the InChIKey of 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone?
The InChIKey is LSANYLYYQMSXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(20)19-8-5-12(6-9-19)21-13-2-3-14(16-10-13)15-4-7-17-18-15/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone?
1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 155790750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).