2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide

C26H26N4O — CID 2653850

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O/c27-19-23-13-7-8-14-24(23)28-25(31)20-29-15-17-30(18-16-29)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,26H,15-18,20H2,(H,28,31)
InChIKeyKTMGUSFWYQNDIL-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.90
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide (PubChem CID 2653850) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
PubChem CID2653850
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H26N4O/c27-19-23-13-7-8-14-24(23)28-25(31)20-29-15-17-30(18-16-29)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,26H,15-18,20H2,(H,28,31)
InChIKeyKTMGUSFWYQNDIL-UHFFFAOYSA-N
XLogP3.90
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
CID 22198313
N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 671206
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-cyanophenyl)acetamide
CID 9258582
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63281967
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 10432016
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
2-(4-benzhydrylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 4235260
N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439590
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
CID 10339151
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide (CID 2653850) is 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide?
The InChIKey is KTMGUSFWYQNDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c27-19-23-13-7-8-14-24(23)28-25(31)20-29-15-17-30(18-16-29)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,26H,15-18,20H2,(H,28,31).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 2653850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).