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

C22H31N3O2 — CID 142799365

IUPACcyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(O)(CC2CC=NN2c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c26-21(18-7-3-1-4-8-18)24-15-12-22(27,13-16-24)17-20-11-14-23-25(20)19-9-5-2-6-10-19/h2,5-6,9-10,14,18,20,27H,1,3-4,7-8,11-13,15-17H2
InChIKeyVZHIKBNUKZBFGV-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.58
Rot. Bonds4

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

cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 142799365) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID142799365
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Namecyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(O)(CC2CC=NN2c2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c26-21(18-7-3-1-4-8-18)24-15-12-22(27,13-16-24)17-20-11-14-23-25(20)19-9-5-2-6-10-19/h2,5-6,9-10,14,18,20,27H,1,3-4,7-8,11-13,15-17H2
InChIKeyVZHIKBNUKZBFGV-UHFFFAOYSA-N
XLogP3.58
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone
CID 142799551
cyclobutyl-[4-hydroxy-4-[[2-(4-phenylphenyl)-3,4-dihydropyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 142799362
[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-(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
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
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011
1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250882
[4-[[2-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-3,4-dihydropyrazol-3-yl]methyl]-4-hydroxypiperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 142799390

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone (CID 142799365) is cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(O)(CC2CC=NN2c2ccccc2)CC1.
What is the InChIKey of cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is VZHIKBNUKZBFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(18-7-3-1-4-8-18)24-15-12-22(27,13-16-24)17-20-11-14-23-25(20)19-9-5-2-6-10-19/h2,5-6,9-10,14,18,20,27H,1,3-4,7-8,11-13,15-17H2.
What are the key properties of cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone?
cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-hydroxy-4-[(2-phenyl-3,4-dihydropyrazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 142799365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).