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

C19H21N7O — CID 655936

IUPAC2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H21N7O/c27-19(21-16-6-8-18(9-7-16)26-15-20-22-23-26)14-24-10-12-25(13-11-24)17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,21,27)
InChIKeyODTRXXAQUAWYTB-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.42
Rot. Bonds5

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

2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 655936) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID655936
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H21N7O/c27-19(21-16-6-8-18(9-7-16)26-15-20-22-23-26)14-24-10-12-25(13-11-24)17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,21,27)
InChIKeyODTRXXAQUAWYTB-UHFFFAOYSA-N
XLogP1.42
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
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-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 655936) is 2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is ODTRXXAQUAWYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c27-19(21-16-6-8-18(9-7-16)26-15-20-22-23-26)14-24-10-12-25(13-11-24)17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H,21,27).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 363.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 655936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).