2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

C17H22N4O — CID 56778914

IUPAC2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCCCC2Cn2cccn2)cn1
InChIInChI=1S/C17H22N4O/c1-14-6-7-15(12-18-14)11-17(22)21-10-3-2-5-16(21)13-20-9-4-8-19-20/h4,6-9,12,16H,2-3,5,10-11,13H2,1H3
InChIKeyPOQLFPYKQLFQSC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.21
Rot. Bonds4

About 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 56778914) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID56778914
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCCCC2Cn2cccn2)cn1
InChIInChI=1S/C17H22N4O/c1-14-6-7-15(12-18-14)11-17(22)21-10-3-2-5-16(21)13-20-9-4-8-19-20/h4,6-9,12,16H,2-3,5,10-11,13H2,1H3
InChIKeyPOQLFPYKQLFQSC-UHFFFAOYSA-N
XLogP2.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (CID 56778914) is 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCCCC2Cn2cccn2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is POQLFPYKQLFQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-6-7-15(12-18-14)11-17(22)21-10-3-2-5-16(21)13-20-9-4-8-19-20/h4,6-9,12,16H,2-3,5,10-11,13H2,1H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56778914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).