1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

C15H15F3N4O2 — CID 67169073

IUPAC1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ncn[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)10-2-1-3-12(8-10)24-11-4-6-22(7-5-11)14(23)13-19-9-20-21-13/h1-3,8-9,11H,4-7H2,(H,19,20,21)
InChIKeyOOYYDAOWJVZSIP-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.51
Rot. Bonds3

About 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 67169073) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID67169073
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ncn[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)10-2-1-3-12(8-10)24-11-4-6-22(7-5-11)14(23)13-19-9-20-21-13/h1-3,8-9,11H,4-7H2,(H,19,20,21)
InChIKeyOOYYDAOWJVZSIP-UHFFFAOYSA-N
XLogP2.51
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (CID 67169073) is 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is O=C(c1ncn[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is OOYYDAOWJVZSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)10-2-1-3-12(8-10)24-11-4-6-22(7-5-11)14(23)13-19-9-20-21-13/h1-3,8-9,11H,4-7H2,(H,19,20,21).
What are the key properties of 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 340.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2,4-triazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 67169073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).