1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone

C17H22N4O — CID 118739875

IUPAC1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(-c3ccnn3C)n2)CC1
InChIInChI=1S/C17H22N4O/c1-13(22)21-10-7-14(8-11-21)12-15-4-3-5-16(19-15)17-6-9-18-20(17)2/h3-6,9,14H,7-8,10-12H2,1-2H3
InChIKeyMGFAERRBZMBHSN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.28
Rot. Bonds3

About 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 118739875) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID118739875
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(-c3ccnn3C)n2)CC1
InChIInChI=1S/C17H22N4O/c1-13(22)21-10-7-14(8-11-21)12-15-4-3-5-16(19-15)17-6-9-18-20(17)2/h3-6,9,14H,7-8,10-12H2,1-2H3
InChIKeyMGFAERRBZMBHSN-UHFFFAOYSA-N
XLogP2.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 118739875) is 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cccc(-c3ccnn3C)n2)CC1.
What is the InChIKey of 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is MGFAERRBZMBHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(22)21-10-7-14(8-11-21)12-15-4-3-5-16(19-15)17-6-9-18-20(17)2/h3-6,9,14H,7-8,10-12H2,1-2H3.
What are the key properties of 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118739875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).