2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C18H23FN4O — CID 53192615

IUPAC2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H23FN4O/c1-13(2)23-12-20-21-18(23)14-7-9-22(10-8-14)17(24)11-15-5-3-4-6-16(15)19/h3-6,12-14H,7-11H2,1-2H3
InChIKeyZSZYXHWGZPWVPA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 53192615) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID53192615
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C18H23FN4O/c1-13(2)23-12-20-21-18(23)14-7-9-22(10-8-14)17(24)11-15-5-3-4-6-16(15)19/h3-6,12-14H,7-11H2,1-2H3
InChIKeyZSZYXHWGZPWVPA-UHFFFAOYSA-N
XLogP2.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 53192615) is 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CC(C)n1cnnc1C1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is ZSZYXHWGZPWVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13(2)23-12-20-21-18(23)14-7-9-22(10-8-14)17(24)11-15-5-3-4-6-16(15)19/h3-6,12-14H,7-11H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 330.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53192615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).