2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C9H12F3N5O — CID 71900846

IUPAC2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cnnn1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)7-2-1-3-16(4-7)8(18)5-17-6-13-14-15-17/h6-7H,1-5H2
InChIKeyLQAKPLXWDOOHKB-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.47
Rot. Bonds2

About 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 71900846) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID71900846
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC Name2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cnnn1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)7-2-1-3-16(4-7)8(18)5-17-6-13-14-15-17/h6-7H,1-5H2
InChIKeyLQAKPLXWDOOHKB-UHFFFAOYSA-N
XLogP0.47
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 71900846) is 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(Cn1cnnn1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is LQAKPLXWDOOHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c10-9(11,12)7-2-1-3-16(4-7)8(18)5-17-6-13-14-15-17/h6-7H,1-5H2.
What are the key properties of 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 263.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71900846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).