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

C20H23N7O — CID 1439261

IUPAC2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H23N7O/c28-20(22-18-6-8-19(9-7-18)27-16-21-23-24-27)15-26-12-10-25(11-13-26)14-17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,22,28)
InChIKeyRGZHOBHXPRZRHM-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.42
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 1439261) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID1439261
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H23N7O/c28-20(22-18-6-8-19(9-7-18)27-16-21-23-24-27)15-26-12-10-25(11-13-26)14-17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,22,28)
InChIKeyRGZHOBHXPRZRHM-UHFFFAOYSA-N
XLogP1.42
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 1439261) is 2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is RGZHOBHXPRZRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c28-20(22-18-6-8-19(9-7-18)27-16-21-23-24-27)15-26-12-10-25(11-13-26)14-17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,22,28).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 1439261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).