N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide

C21H25N7O — CID 39518918

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc(-n3cnnn3)c(C)c2)CC1
InChIInChI=1S/C21H25N7O/c1-3-26-10-12-27(13-11-26)20-7-5-4-6-18(20)23-21(29)17-8-9-19(16(2)14-17)28-15-22-24-25-28/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,29)
InChIKeyZMFCUOGTKOJLOV-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 39518918) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID39518918
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc(-n3cnnn3)c(C)c2)CC1
InChIInChI=1S/C21H25N7O/c1-3-26-10-12-27(13-11-26)20-7-5-4-6-18(20)23-21(29)17-8-9-19(16(2)14-17)28-15-22-24-25-28/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,29)
InChIKeyZMFCUOGTKOJLOV-UHFFFAOYSA-N
XLogP2.36
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55616983
N-[2-amino-5-(4-ethylpiperazin-1-yl)-4-methylphenyl]benzamide
CID 91683990
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 55616965
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553493
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide
CID 112809859

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide (CID 39518918) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide is CCN1CCN(c2ccccc2NC(=O)c2ccc(-n3cnnn3)c(C)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is ZMFCUOGTKOJLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-3-26-10-12-27(13-11-26)20-7-5-4-6-18(20)23-21(29)17-8-9-19(16(2)14-17)28-15-22-24-25-28/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,29).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39518918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).