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

C20H22N4O — CID 10088259

IUPACN-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-16-6-8-17(9-7-16)20(25)22-15-23-10-12-24(13-11-23)19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25)
InChIKeyFJYYLTSACBJXID-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.38
Rot. Bonds4

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

N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide (PubChem CID 10088259) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
PubChem CID10088259
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-16-6-8-17(9-7-16)20(25)22-15-23-10-12-24(13-11-23)19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25)
InChIKeyFJYYLTSACBJXID-UHFFFAOYSA-N
XLogP2.38
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
PD-168077
CID 3645619
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
N-[2-[4-(4-cyanophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788940
N-[(4-phenylpiperazin-1-yl)carbonothioyl]benzamide
CID 886842
N-((4-(2-Cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide maleate
CID 11957665
N-benzoyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 2160596
2-(4-Methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-dihydroquinazolin-4-one
CID 2815279
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
CID 2996936
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 3938625
4-Cyano-N-(2-(ethyl(m-tolyl)amino)ethyl)benzamide
CID 9092269
N-{[4-(4-fluorophenyl)piperazinyl]methyl}(4-methylphenyl)carboxamide
CID 17380144

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide (CID 10088259) is N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)cc1.
What is the InChIKey of N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
The InChIKey is FJYYLTSACBJXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-6-8-17(9-7-16)20(25)22-15-23-10-12-24(13-11-23)19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25).
What are the key properties of N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 10088259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).