1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone

C17H22N4O — CID 110101867

IUPAC1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(-c3cc(C)[nH]n3)n2)CC1
InChIInChI=1S/C17H22N4O/c1-12-10-17(20-19-12)16-5-3-4-15(18-16)11-14-6-8-21(9-7-14)13(2)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,19,20)
InChIKeyLKORQIKUNOODPH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.58
Rot. Bonds3

About 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 110101867) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID110101867
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(-c3cc(C)[nH]n3)n2)CC1
InChIInChI=1S/C17H22N4O/c1-12-10-17(20-19-12)16-5-3-4-15(18-16)11-14-6-8-21(9-7-14)13(2)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,19,20)
InChIKeyLKORQIKUNOODPH-UHFFFAOYSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110101070
1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95815297
1-[(4R)-4-[(6-bromo-2-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804470
1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 125014137
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
1-[3-[4-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110101094
1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110090129
(5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one
CID 124960687
tert-butyl 4-[[6-(5-chloro-2-pyridinyl)-2-pyridinyl]methyl]piperidine-1-carboxylate
CID 175281835
1-[(4S)-4-[[6-(2-methoxyethylamino)-2-pyridinyl]methyl]azepan-1-yl]ethanone
CID 95825077
2,2-dimethyl-1-[4-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110096699
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]ethanone
CID 118546878

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 110101867) is 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cccc(-c3cc(C)[nH]n3)n2)CC1.
What is the InChIKey of 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is LKORQIKUNOODPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-10-17(20-19-12)16-5-3-4-15(18-16)11-14-6-8-21(9-7-14)13(2)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,19,20).
What are the key properties of 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110101867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).