N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C20H20F3N7O — CID 1439333

IUPACN-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H20F3N7O/c21-20(22,23)15-2-1-3-18(12-15)29-10-8-28(9-11-29)13-19(31)25-16-4-6-17(7-5-16)30-14-24-26-27-30/h1-7,12,14H,8-11,13H2,(H,25,31)
InChIKeyVSIBBTSVYIVLSP-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.44
Rot. Bonds5

About N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 1439333) has the molecular formula C20H20F3N7O and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID1439333
Molecular FormulaC20H20F3N7O
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C20H20F3N7O/c21-20(22,23)15-2-1-3-18(12-15)29-10-8-28(9-11-29)13-19(31)25-16-4-6-17(7-5-16)30-14-24-26-27-30/h1-7,12,14H,8-11,13H2,(H,25,31)
InChIKeyVSIBBTSVYIVLSP-UHFFFAOYSA-N
XLogP2.44
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
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2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
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CID 25102686
2-[3-(2-Fluoro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-(3-methyl-4-tetrazol-1-yl-phenyl)-acetamide
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2-(4-Phenyl-piperazin-1-yl)-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 655936
1-(1-Phenyltetrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 1439333) is N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is VSIBBTSVYIVLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O/c21-20(22,23)15-2-1-3-18(12-15)29-10-8-28(9-11-29)13-19(31)25-16-4-6-17(7-5-16)30-14-24-26-27-30/h1-7,12,14H,8-11,13H2,(H,25,31).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 431.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 1439333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).