2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide

C26H26N4O — CID 46667188

IUPAC2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide
SMILESN#Cc1ccc(CN2CCN(C(C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N4O/c27-19-21-11-13-22(14-12-21)20-29-15-17-30(18-16-29)25(23-7-3-1-4-8-23)26(31)28-24-9-5-2-6-10-24/h1-14,25H,15-18,20H2,(H,28,31)
InChIKeyKCWXIHRKRRYFPY-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.06
Rot. Bonds6

About 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide

2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide (PubChem CID 46667188) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide
PubChem CID46667188
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide
SMILESN#Cc1ccc(CN2CCN(C(C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N4O/c27-19-21-11-13-22(14-12-21)20-29-15-17-30(18-16-29)25(23-7-3-1-4-8-23)26(31)28-24-9-5-2-6-10-24/h1-14,25H,15-18,20H2,(H,28,31)
InChIKeyKCWXIHRKRRYFPY-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 9398852
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 55498344
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55355595
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348715
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348711
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 55355626
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
CID 9389720
(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-cyanophenyl)propanamide
CID 2654990
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetic acid
CID 43396853
4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
CID 46493889
(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 95785630

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide?
The IUPAC name of 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide (CID 46667188) is 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide?
The canonical SMILES for 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide is N#Cc1ccc(CN2CCN(C(C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide?
The InChIKey is KCWXIHRKRRYFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c27-19-21-11-13-22(14-12-21)20-29-15-17-30(18-16-29)25(23-7-3-1-4-8-23)26(31)28-24-9-5-2-6-10-24/h1-14,25H,15-18,20H2,(H,28,31).
What are the key properties of 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide?
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide has a molecular weight of 410.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N,2-diphenylacetamide is sourced from PubChem (CID 46667188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).