[3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C19H17F3N6O2 — CID 71798687

IUPAC[3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H17F3N6O2/c20-19(21,22)14-4-5-17(23-11-14)30-16-6-8-27(9-7-16)18(29)13-2-1-3-15(10-13)28-12-24-25-26-28/h1-5,10-12,16H,6-9H2
InChIKeyQQEUYHJLSLBJTK-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.76
Rot. Bonds4

About [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

[3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798687) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798687
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC Name[3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H17F3N6O2/c20-19(21,22)14-4-5-17(23-11-14)30-16-6-8-27(9-7-16)18(29)13-2-1-3-15(10-13)28-12-24-25-26-28/h1-5,10-12,16H,6-9H2
InChIKeyQQEUYHJLSLBJTK-UHFFFAOYSA-N
XLogP2.76
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

pyridin-3-yl-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 97158981
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate
CID 55736386
(3-quinolin-2-yloxyazetidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122250188
3-[1-[3-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636445
N-(3-chlorophenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798778
[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146135225
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
(7-phenyl-1,4-thiazepan-4-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 90629300
1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850995
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146

Frequently Asked Questions

What is the IUPAC name of [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798687) is [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is QQEUYHJLSLBJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c20-19(21,22)14-4-5-17(23-11-14)30-16-6-8-27(9-7-16)18(29)13-2-1-3-15(10-13)28-12-24-25-26-28/h1-5,10-12,16H,6-9H2.
What are the key properties of [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
[3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 418.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).