2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile

C26H26N4O2 — CID 10410208

IUPAC2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O2/c27-19-24(21-8-7-13-28-20-21)29-14-16-30(17-15-29)25(31)18-26(32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,20,24,32H,14-18H2
InChIKeyFMTWOXJEAYZPIZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.12
Rot. Bonds6

About 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile

2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile (PubChem CID 10410208) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
PubChem CID10410208
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O2/c27-19-24(21-8-7-13-28-20-21)29-14-16-30(17-15-29)25(31)18-26(32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,20,24,32H,14-18H2
InChIKeyFMTWOXJEAYZPIZ-UHFFFAOYSA-N
XLogP3.12
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 9889462
(4-Diphenylacetyl-piperazin-1-yl)-pyridin-3-yl-acetonitrile
CID 9978062
(2-Methyl-pyridin-3-yl)-[4-(4,4,4-trifluoro-3-hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-acetonitrile
CID 10002913
[4-(3,3-Diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10048004
2-(4-Diphenylacetyl-piperazin-1-yl)-2-pyridin-3-yl-propionitrile; hydrate
CID 10092996
[4-(3,3-Diphenyl-propionyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile
CID 10341520
[4-(3-Hydroxy-3-phenyl-3-pyridin-3-yl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10411043
[4-(4,4-Diphenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10433272
{4-[3,3-Bis-(4-fluoro-phenyl)-3-hydroxy-propionyl]-piperazin-1-yl}-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10435103
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-pyridin-4-yl-acetonitrile; hydrate
CID 10455159
[4-(3-Hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10474804
[4-(2,3-Diphenyl-propionyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile; hydrate
CID 10476687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile (CID 10410208) is 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile is N#CC(c1cccnc1)N1CCN(C(=O)CC(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The InChIKey is FMTWOXJEAYZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c27-19-24(21-8-7-13-28-20-21)29-14-16-30(17-15-29)25(31)18-26(32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,20,24,32H,14-18H2.
What are the key properties of 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile has a molecular weight of 426.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxy-3,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 10410208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).