2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C23H27N3O2 — CID 134043102

IUPAC2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(CN1CCC(C(O)c2ccccc2)CC1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C23H27N3O2/c27-22(26-16-13-21(24-26)18-7-3-1-4-8-18)17-25-14-11-20(12-15-25)23(28)19-9-5-2-6-10-19/h1-10,20,23,28H,11-17H2
InChIKeyAMROUDZJDFHPAZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 134043102) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID134043102
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(CN1CCC(C(O)c2ccccc2)CC1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C23H27N3O2/c27-22(26-16-13-21(24-26)18-7-3-1-4-8-18)17-25-14-11-20(12-15-25)23(28)19-9-5-2-6-10-19/h1-10,20,23,28H,11-17H2
InChIKeyAMROUDZJDFHPAZ-UHFFFAOYSA-N
XLogP3.07
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,4-diazepan-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 31313586
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 128950944
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,3-diphenylpropanoate
CID 8752568
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 87015862
3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 24608276
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36668372
2-heptan-4-ylsulfonyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 86867742
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
2-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 37301071
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one
CID 17491197

Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 134043102) is 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is O=C(CN1CCC(C(O)c2ccccc2)CC1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is AMROUDZJDFHPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(26-16-13-21(24-26)18-7-3-1-4-8-18)17-25-14-11-20(12-15-25)23(28)19-9-5-2-6-10-19/h1-10,20,23,28H,11-17H2.
What are the key properties of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 377.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 134043102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).