1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C16H16FN7O2 — CID 78905242

IUPAC1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C16H16FN7O2/c17-12-1-2-13-11(7-12)8-14(19-13)16(26)23-5-3-22(4-6-23)15(25)9-24-10-18-20-21-24/h1-2,7-8,10,19H,3-6,9H2
InChIKeyIJGIDHITJVEBFD-UHFFFAOYSA-N
MW357.35 g/mol
LogP0.28
Rot. Bonds3

About 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 78905242) has the molecular formula C16H16FN7O2 and a molecular weight of 357.35 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID78905242
Molecular FormulaC16H16FN7O2
Molecular Weight357.35 g/mol
Exact Mass357.13
IUPAC Name1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C16H16FN7O2/c17-12-1-2-13-11(7-12)8-14(19-13)16(26)23-5-3-22(4-6-23)15(25)9-24-10-18-20-21-24/h1-2,7-8,10,19H,3-6,9H2
InChIKeyIJGIDHITJVEBFD-UHFFFAOYSA-N
XLogP0.28
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 78905242) is 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is IJGIDHITJVEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7O2/c17-12-1-2-13-11(7-12)8-14(19-13)16(26)23-5-3-22(4-6-23)15(25)9-24-10-18-20-21-24/h1-2,7-8,10,19H,3-6,9H2.
What are the key properties of 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 357.35 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 78905242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).