2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C16H20N4O — CID 71934231

IUPAC2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCCC(c3ccn[nH]3)C2)cn1
InChIInChI=1S/C16H20N4O/c1-12-4-5-13(10-17-12)9-16(21)20-8-2-3-14(11-20)15-6-7-18-19-15/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,18,19)
InChIKeyBKBOENAQIQSDQB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.06
Rot. Bonds3

About 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 71934231) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID71934231
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCCC(c3ccn[nH]3)C2)cn1
InChIInChI=1S/C16H20N4O/c1-12-4-5-13(10-17-12)9-16(21)20-8-2-3-14(11-20)15-6-7-18-19-15/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,18,19)
InChIKeyBKBOENAQIQSDQB-UHFFFAOYSA-N
XLogP2.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 71934231) is 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCCC(c3ccn[nH]3)C2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is BKBOENAQIQSDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-4-5-13(10-17-12)9-16(21)20-8-2-3-14(11-20)15-6-7-18-19-15/h4-7,10,14H,2-3,8-9,11H2,1H3,(H,18,19).
What are the key properties of 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71934231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).