1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone

C20H25N3O2 — CID 45220879

IUPAC1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCC(CCc3ccccc3C)C2)[nH]n1
InChIInChI=1S/C20H25N3O2/c1-14-6-3-4-8-17(14)10-9-16-7-5-11-23(13-16)20(25)19-12-18(15(2)24)21-22-19/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3,(H,21,22)
InChIKeyIRXGITYGYHJPRI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.41
Rot. Bonds5

About 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone

1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone (PubChem CID 45220879) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
PubChem CID45220879
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCC(CCc3ccccc3C)C2)[nH]n1
InChIInChI=1S/C20H25N3O2/c1-14-6-3-4-8-17(14)10-9-16-7-5-11-23(13-16)20(25)19-12-18(15(2)24)21-22-19/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3,(H,21,22)
InChIKeyIRXGITYGYHJPRI-UHFFFAOYSA-N
XLogP3.41
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 25285737
1-[5-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56877097
1-[5-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 26396263
1-[5-[3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 45208957
[(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
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
(3-hydroxy-4-methylphenyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95555458
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
2-methyl-5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56878773
5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95549172

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone (CID 45220879) is 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone is CC(=O)c1cc(C(=O)N2CCCC(CCc3ccccc3C)C2)[nH]n1.
What is the InChIKey of 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone?
The InChIKey is IRXGITYGYHJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-6-3-4-8-17(14)10-9-16-7-5-11-23(13-16)20(25)19-12-18(15(2)24)21-22-19/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3,(H,21,22).
What are the key properties of 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone?
1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone is sourced from PubChem (CID 45220879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).