2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile

C26H25N3O — CID 10408388

IUPAC2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25N3O/c27-18-24(23-12-7-15-28-19-23)20-13-16-29(17-14-20)26(30)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,19-20,24-25H,13-14,16-17H2
InChIKeyDBKJBAQPDMQAHQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.76
Rot. Bonds5

About 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile

2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile (PubChem CID 10408388) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile
PubChem CID10408388
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile
SMILESN#CC(c1cccnc1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25N3O/c27-18-24(23-12-7-15-28-19-23)20-13-16-29(17-14-20)26(30)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,19-20,24-25H,13-14,16-17H2
InChIKeyDBKJBAQPDMQAHQ-UHFFFAOYSA-N
XLogP4.76
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile (CID 10408388) is 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile is N#CC(c1cccnc1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile?
The InChIKey is DBKJBAQPDMQAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c27-18-24(23-12-7-15-28-19-23)20-13-16-29(17-14-20)26(30)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,19-20,24-25H,13-14,16-17H2.
What are the key properties of 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile?
2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile has a molecular weight of 395.51 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 10408388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).