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

C17H22N4O — CID 124998664

IUPAC1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Cc2ccnc(-c3ccnn3C)c2)C1
InChIInChI=1S/C17H22N4O/c1-13(22)21-9-3-4-15(12-21)10-14-5-7-18-16(11-14)17-6-8-19-20(17)2/h5-8,11,15H,3-4,9-10,12H2,1-2H3/t15-/m1/s1
InChIKeyRJGVCLUIQFVVQU-OAHLLOKOSA-N
MW298.39 g/mol
LogP2.28
Rot. Bonds3

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

1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 124998664) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID124998664
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Cc2ccnc(-c3ccnn3C)c2)C1
InChIInChI=1S/C17H22N4O/c1-13(22)21-9-3-4-15(12-21)10-14-5-7-18-16(11-14)17-6-8-19-20(17)2/h5-8,11,15H,3-4,9-10,12H2,1-2H3/t15-/m1/s1
InChIKeyRJGVCLUIQFVVQU-OAHLLOKOSA-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

Analyze 1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124991548
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine
CID 124992304
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine
CID 124964634
1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110100353
2-(2-methylpyrazol-3-yl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine
CID 110102016
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023056
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 125016939
1-[(3R)-3-[(6-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 95804473
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124979678

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 124998664) is 1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](Cc2ccnc(-c3ccnn3C)c2)C1.
What is the InChIKey of 1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is RJGVCLUIQFVVQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(22)21-9-3-4-15(12-21)10-14-5-7-18-16(11-14)17-6-8-19-20(17)2/h5-8,11,15H,3-4,9-10,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-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-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124998664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).