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

C21H29N3O2 — CID 142799551

IUPACcyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(O)(CC2CC=NN2c2ccccc2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(17-6-4-5-7-17)23-14-11-21(26,12-15-23)16-19-10-13-22-24(19)18-8-2-1-3-9-18/h1-3,8-9,13,17,19,26H,4-7,10-12,14-16H2
InChIKeyQAVZDSXJOXDVEH-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.18
Rot. Bonds4

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

cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 142799551) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID142799551
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Namecyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(O)(CC2CC=NN2c2ccccc2)CC1
InChIInChI=1S/C21H29N3O2/c25-20(17-6-4-5-7-17)23-14-11-21(26,12-15-23)16-19-10-13-22-24(19)18-8-2-1-3-9-18/h1-3,8-9,13,17,19,26H,4-7,10-12,14-16H2
InChIKeyQAVZDSXJOXDVEH-UHFFFAOYSA-N
XLogP3.18
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799365
cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799362
cyclopropyl-[4-hydroxy-4-[[2-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 150877264
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-[4-(4-methylpiperazin-1-yl)phenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799352
[4-[[2-[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-cyclopropylmethanone
CID 142799328
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-(2-methyl-4-pyrazol-1-ylphenyl)phenyl]-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799306
cyclopropyl-[4-[[2-[4-[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]methanone
CID 142799492
[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 142799390
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone (CID 142799551) is cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(O)(CC2CC=NN2c2ccccc2)CC1.
What is the InChIKey of cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is QAVZDSXJOXDVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(17-6-4-5-7-17)23-14-11-21(26,12-15-23)16-19-10-13-22-24(19)18-8-2-1-3-9-18/h1-3,8-9,13,17,19,26H,4-7,10-12,14-16H2.
What are the key properties of cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone?
cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 355.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 142799551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).