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

C21H25N7O — CID 55930735

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)CC1
InChIInChI=1S/C21H25N7O/c1-2-26-10-12-27(13-11-26)15-17-6-8-19(9-7-17)23-21(29)18-4-3-5-20(14-18)28-16-22-24-25-28/h3-9,14,16H,2,10-13,15H2,1H3,(H,23,29)
InChIKeyNHHQWEXLLOJKFW-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.05
Rot. Bonds6

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

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 55930735) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide
PubChem CID55930735
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)CC1
InChIInChI=1S/C21H25N7O/c1-2-26-10-12-27(13-11-26)15-17-6-8-19(9-7-17)23-21(29)18-4-3-5-20(14-18)28-16-22-24-25-28/h3-9,14,16H,2,10-13,15H2,1H3,(H,23,29)
InChIKeyNHHQWEXLLOJKFW-UHFFFAOYSA-N
XLogP2.05
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-[4-[2-(1-methylpiperidin-4-yl)ethyl]phenyl]-3-(tetrazol-1-yl)benzamide
CID 110244606
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 39191568
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 60510389
3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55911957
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide (CID 55930735) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide is CCN1CCN(Cc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is NHHQWEXLLOJKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-2-26-10-12-27(13-11-26)15-17-6-8-19(9-7-17)23-21(29)18-4-3-5-20(14-18)28-16-22-24-25-28/h3-9,14,16H,2,10-13,15H2,1H3,(H,23,29).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55930735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).