1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone

C20H19F2N5O — CID 155951996

IUPAC1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)n1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C20H19F2N5O/c21-17-7-4-8-18(22)20(17)26-11-9-25(10-12-26)19(28)13-15-14-23-27(24-15)16-5-2-1-3-6-16/h1-8,14H,9-13H2
InChIKeyWBGSYPHCSLUBCM-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.44
Rot. Bonds4

About 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone

1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone (PubChem CID 155951996) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone
PubChem CID155951996
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)n1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C20H19F2N5O/c21-17-7-4-8-18(22)20(17)26-11-9-25(10-12-26)19(28)13-15-14-23-27(24-15)16-5-2-1-3-6-16/h1-8,14H,9-13H2
InChIKeyWBGSYPHCSLUBCM-UHFFFAOYSA-N
XLogP2.44
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone (CID 155951996) is 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone is O=C(Cc1cnn(-c2ccccc2)n1)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone?
The InChIKey is WBGSYPHCSLUBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-17-7-4-8-18(22)20(17)26-11-9-25(10-12-26)19(28)13-15-14-23-27(24-15)16-5-2-1-3-6-16/h1-8,14H,9-13H2.
What are the key properties of 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone?
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone has a molecular weight of 383.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(2-phenyltriazol-4-yl)ethanone is sourced from PubChem (CID 155951996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).