2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone

C23H33N5O — CID 24790601

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n1
InChIInChI=1S/C23H33N5O/c1-18-7-4-5-9-22(18)26-13-11-25(12-14-26)21-8-6-10-27(16-21)23(29)17-28-20(3)15-19(2)24-28/h4-5,7,9,15,21H,6,8,10-14,16-17H2,1-3H3
InChIKeyLEHSSQFEOLPHGL-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.62
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 24790601) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID24790601
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n1
InChIInChI=1S/C23H33N5O/c1-18-7-4-5-9-22(18)26-13-11-25(12-14-26)21-8-6-10-27(16-21)23(29)17-28-20(3)15-19(2)24-28/h4-5,7,9,15,21H,6,8,10-14,16-17H2,1-3H3
InChIKeyLEHSSQFEOLPHGL-UHFFFAOYSA-N
XLogP2.62
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone (CID 24790601) is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is LEHSSQFEOLPHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-18-7-4-5-9-22(18)26-13-11-25(12-14-26)21-8-6-10-27(16-21)23(29)17-28-20(3)15-19(2)24-28/h4-5,7,9,15,21H,6,8,10-14,16-17H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 395.55 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 24790601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).