1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C20H28N4O — CID 110101824

IUPAC1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCn1nccc1-c1cc(C2CCN(C(=O)C(C)(C)C)CC2)ccn1
InChIInChI=1S/C20H28N4O/c1-5-24-18(7-11-22-24)17-14-16(6-10-21-17)15-8-12-23(13-9-15)19(25)20(2,3)4/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3
InChIKeyPUVKQGOWBQCFPO-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.72
Rot. Bonds3

About 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 110101824) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID110101824
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCn1nccc1-c1cc(C2CCN(C(=O)C(C)(C)C)CC2)ccn1
InChIInChI=1S/C20H28N4O/c1-5-24-18(7-11-22-24)17-14-16(6-10-21-17)15-8-12-23(13-9-15)19(25)20(2,3)4/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3
InChIKeyPUVKQGOWBQCFPO-UHFFFAOYSA-N
XLogP3.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 110101819
1-[(2S)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 125006640
1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124943302
1-[(2R)-2-[6-(2-ethylpyrazol-3-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124996798
1-[(3S)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124943301
1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101484
2,2-dimethyl-1-[3-[[6-(2-propylpyrazol-3-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 127246022
2,2-dimethyl-1-[3-[3-(2-propylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110101549
2,2-dimethyl-1-[4-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]propan-1-one
CID 110102094
4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine
CID 124997758
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125017183
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118167202

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 110101824) is 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CCn1nccc1-c1cc(C2CCN(C(=O)C(C)(C)C)CC2)ccn1.
What is the InChIKey of 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is PUVKQGOWBQCFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-24-18(7-11-22-24)17-14-16(6-10-21-17)15-8-12-23(13-9-15)19(25)20(2,3)4/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3.
What are the key properties of 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 340.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-ethylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 110101824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).