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

C26H26N4O — CID 10476687

IUPAC2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)N1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O/c27-19-25(23-12-7-13-28-20-23)29-14-16-30(17-15-29)26(31)24(22-10-5-2-6-11-22)18-21-8-3-1-4-9-21/h1-13,20,24-25H,14-18H2
InChIKeyJOGXXWAQGKTITB-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.82
Rot. Bonds6

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

2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile (PubChem CID 10476687) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
PubChem CID10476687
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)N1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O/c27-19-25(23-12-7-13-28-20-23)29-14-16-30(17-15-29)26(31)24(22-10-5-2-6-11-22)18-21-8-3-1-4-9-21/h1-13,20,24-25H,14-18H2
InChIKeyJOGXXWAQGKTITB-UHFFFAOYSA-N
XLogP3.82
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile (CID 10476687) is 2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile is N#CC(c1cccnc1)N1CCN(C(=O)C(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
The InChIKey is JOGXXWAQGKTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c27-19-25(23-12-7-13-28-20-23)29-14-16-30(17-15-29)26(31)24(22-10-5-2-6-11-22)18-21-8-3-1-4-9-21/h1-13,20,24-25H,14-18H2.
What are the key properties of 2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile?
2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile has a molecular weight of 410.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-diphenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 10476687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).