2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C18H23FN4O2 — CID 53192588

IUPAC2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCCn1cnnc1C1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O2/c1-2-9-23-13-20-21-18(23)14-7-10-22(11-8-14)17(24)12-25-16-5-3-15(19)4-6-16/h3-6,13-14H,2,7-12H2,1H3
InChIKeyWRSGJQWSLSARJM-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.61
Rot. Bonds6

About 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 53192588) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID53192588
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCCn1cnnc1C1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O2/c1-2-9-23-13-20-21-18(23)14-7-10-22(11-8-14)17(24)12-25-16-5-3-15(19)4-6-16/h3-6,13-14H,2,7-12H2,1H3
InChIKeyWRSGJQWSLSARJM-UHFFFAOYSA-N
XLogP2.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 53192588) is 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CCCn1cnnc1C1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is WRSGJQWSLSARJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-2-9-23-13-20-21-18(23)14-7-10-22(11-8-14)17(24)12-25-16-5-3-15(19)4-6-16/h3-6,13-14H,2,7-12H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 346.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53192588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).