cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone

C26H31N3O2 — CID 142799362

IUPACcyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(O)(CC2CC=NN2c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H31N3O2/c30-25(22-7-4-8-22)28-17-14-26(31,15-18-28)19-24-13-16-27-29(24)23-11-9-21(10-12-23)20-5-2-1-3-6-20/h1-3,5-6,9-12,16,22,24,31H,4,7-8,13-15,17-19H2
InChIKeyNSKOURIOIQUWHG-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.46
Rot. Bonds5

About cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone

cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone (PubChem CID 142799362) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
PubChem CID142799362
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Namecyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(O)(CC2CC=NN2c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H31N3O2/c30-25(22-7-4-8-22)28-17-14-26(31,15-18-28)19-24-13-16-27-29(24)23-11-9-21(10-12-23)20-5-2-1-3-6-20/h1-3,5-6,9-12,16,22,24,31H,4,7-8,13-15,17-19H2
InChIKeyNSKOURIOIQUWHG-UHFFFAOYSA-N
XLogP4.46
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799551
cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799365
cyclopropyl-[4-hydroxy-4-[[2-[4-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799352
cyclopropyl-[4-[[2-[3-(4-fluorophenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
CID 151173158
cyclopropyl-[4-hydroxy-4-[[2-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799310
cyclopropyl-[4-hydroxy-4-[[2-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 150877264
[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone
CID 142799328
cyclopropyl-[4-[[2-[4-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
CID 142799492
cyclopropyl-[4-hydroxy-4-[[2-[3-(2-methyl-4-pyrazol-1-ylphenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799306
[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 142799390
4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
CID 74243293
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone (CID 142799362) is cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(O)(CC2CC=NN2c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is NSKOURIOIQUWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c30-25(22-7-4-8-22)28-17-14-26(31,15-18-28)19-24-13-16-27-29(24)23-11-9-21(10-12-23)20-5-2-1-3-6-20/h1-3,5-6,9-12,16,22,24,31H,4,7-8,13-15,17-19H2.
What are the key properties of cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone?
cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 417.55 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 142799362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).