2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

C20H23N7O2 — CID 1439460

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C20H23N7O2/c1-29-19-5-3-2-4-18(19)26-12-10-25(11-13-26)14-20(28)22-16-6-8-17(9-7-16)27-15-21-23-24-27/h2-9,15H,10-14H2,1H3,(H,22,28)
InChIKeyWIXNYRNPYLYCJE-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.43
Rot. Bonds6

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 1439460) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID1439460
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C20H23N7O2/c1-29-19-5-3-2-4-18(19)26-12-10-25(11-13-26)14-20(28)22-16-6-8-17(9-7-16)27-15-21-23-24-27/h2-9,15H,10-14H2,1H3,(H,22,28)
InChIKeyWIXNYRNPYLYCJE-UHFFFAOYSA-N
XLogP1.43
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2559642
N-(2-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 647163
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 1455276
N-(4-acetamidophenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 3395567
1-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 24791105
N-(4-ethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2709045
N-(2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511456
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2477122
N-[4-(diethylamino)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2478154
2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 828490

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 1439460) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is COc1ccccc1N1CCN(CC(=O)Nc2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is WIXNYRNPYLYCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-29-19-5-3-2-4-18(19)26-12-10-25(11-13-26)14-20(28)22-16-6-8-17(9-7-16)27-15-21-23-24-27/h2-9,15H,10-14H2,1H3,(H,22,28).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 1439460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).