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

C19H20FN7O — CID 648187

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H20FN7O/c20-15-1-5-17(6-2-15)26-11-9-25(10-12-26)13-19(28)22-16-3-7-18(8-4-16)27-14-21-23-24-27/h1-8,14H,9-13H2,(H,22,28)
InChIKeyHPEKSTGAGIWOTG-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.56
Rot. Bonds5

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 648187) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID648187
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H20FN7O/c20-15-1-5-17(6-2-15)26-11-9-25(10-12-26)13-19(28)22-16-3-7-18(8-4-16)27-14-21-23-24-27/h1-8,14H,9-13H2,(H,22,28)
InChIKeyHPEKSTGAGIWOTG-UHFFFAOYSA-N
XLogP1.56
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 648187) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is HPEKSTGAGIWOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c20-15-1-5-17(6-2-15)26-11-9-25(10-12-26)13-19(28)22-16-3-7-18(8-4-16)27-14-21-23-24-27/h1-8,14H,9-13H2,(H,22,28).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 381.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 648187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).