N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide

C22H25N7O2 — CID 9465988

IUPACN-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C22H25N7O2/c1-2-17-6-3-4-9-20(17)24-21(30)15-27-10-12-28(13-11-27)22(31)18-7-5-8-19(14-18)29-16-23-25-26-29/h3-9,14,16H,2,10-13,15H2,1H3,(H,24,30)
InChIKeyJRILZDWUXDBHNW-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.62
Rot. Bonds6

About N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 9465988) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide
PubChem CID9465988
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C22H25N7O2/c1-2-17-6-3-4-9-20(17)24-21(30)15-27-10-12-28(13-11-27)22(31)18-7-5-8-19(14-18)29-16-23-25-26-29/h3-9,14,16H,2,10-13,15H2,1H3,(H,24,30)
InChIKeyJRILZDWUXDBHNW-UHFFFAOYSA-N
XLogP1.62
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide (CID 9465988) is N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is JRILZDWUXDBHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-2-17-6-3-4-9-20(17)24-21(30)15-27-10-12-28(13-11-27)22(31)18-7-5-8-19(14-18)29-16-23-25-26-29/h3-9,14,16H,2,10-13,15H2,1H3,(H,24,30).
What are the key properties of N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9465988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).