2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide

C29H31N3O — CID 25206081

IUPAC2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide
SMILESN#Cc1ccc(CC(=O)NC2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H31N3O/c30-22-24-13-11-23(12-14-24)21-29(33)31-27-15-18-32(19-16-27)20-17-28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,27-28H,15-21H2,(H,31,33)
InChIKeySLJZVVYWHGUCOR-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.90
Rot. Bonds8

About 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide

2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide (PubChem CID 25206081) has the molecular formula C29H31N3O and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide
PubChem CID25206081
Molecular FormulaC29H31N3O
Molecular Weight437.59 g/mol
Exact Mass437.25
IUPAC Name2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide
SMILESN#Cc1ccc(CC(=O)NC2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H31N3O/c30-22-24-13-11-23(12-14-24)21-29(33)31-27-15-18-32(19-16-27)20-17-28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,27-28H,15-21H2,(H,31,33)
InChIKeySLJZVVYWHGUCOR-UHFFFAOYSA-N
XLogP4.90
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide (CID 25206081) is 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide is N#Cc1ccc(CC(=O)NC2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide?
The InChIKey is SLJZVVYWHGUCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O/c30-22-24-13-11-23(12-14-24)21-29(33)31-27-15-18-32(19-16-27)20-17-28(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,27-28H,15-21H2,(H,31,33).
What are the key properties of 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide?
2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide has a molecular weight of 437.59 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 25206081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).