[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone

C21H29N3O — CID 56860981

IUPAC[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCCC(CCc2ccccc2C)C1
InChIInChI=1S/C21H29N3O/c1-3-14-24-20(12-13-22-24)21(25)23-15-6-8-18(16-23)10-11-19-9-5-4-7-17(19)2/h4-5,7,9,12-13,18H,3,6,8,10-11,14-16H2,1-2H3
InChIKeyAZYUGBNJIUVKTL-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.09
Rot. Bonds6

About [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone

[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone (PubChem CID 56860981) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
PubChem CID56860981
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCCC(CCc2ccccc2C)C1
InChIInChI=1S/C21H29N3O/c1-3-14-24-20(12-13-22-24)21(25)23-15-6-8-18(16-23)10-11-19-9-5-4-7-17(19)2/h4-5,7,9,12-13,18H,3,6,8,10-11,14-16H2,1-2H3
InChIKeyAZYUGBNJIUVKTL-UHFFFAOYSA-N
XLogP4.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56861522
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95426769
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 56869725
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95549951
(3-hydroxy-4-methylphenyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95555458
[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56899449

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone (CID 56860981) is [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)N1CCCC(CCc2ccccc2C)C1.
What is the InChIKey of [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
The InChIKey is AZYUGBNJIUVKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-3-14-24-20(12-13-22-24)21(25)23-15-6-8-18(16-23)10-11-19-9-5-4-7-17(19)2/h4-5,7,9,12-13,18H,3,6,8,10-11,14-16H2,1-2H3.
What are the key properties of [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone?
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone has a molecular weight of 339.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 56860981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).