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

C20H23N7O2 — CID 645888

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1
InChIInChI=1S/C20H23N7O2/c1-29-19-8-6-17(7-9-19)26-12-10-25(11-13-26)14-20(28)22-16-2-4-18(5-3-16)27-15-21-23-24-27/h2-9,15H,10-14H2,1H3,(H,22,28)
InChIKeyUWBBBPPIAIQGPV-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.43
Rot. Bonds6

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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 645888) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID645888
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1
InChIInChI=1S/C20H23N7O2/c1-29-19-8-6-17(7-9-19)26-12-10-25(11-13-26)14-20(28)22-16-2-4-18(5-3-16)27-15-21-23-24-27/h2-9,15H,10-14H2,1H3,(H,22,28)
InChIKeyUWBBBPPIAIQGPV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 645888) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is COc1ccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is UWBBBPPIAIQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-29-19-8-6-17(7-9-19)26-12-10-25(11-13-26)14-20(28)22-16-2-4-18(5-3-16)27-15-21-23-24-27/h2-9,15H,10-14H2,1H3,(H,22,28).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[4-(4-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-(4-methoxyphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 645888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).