4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

C19H23FN4O2 — CID 73167670

IUPAC4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C19H23FN4O2/c1-22-19(26)24(16-6-7-16)18(21-22)14-8-10-23(11-9-14)17(25)12-13-2-4-15(20)5-3-13/h2-5,14,16H,6-12H2,1H3
InChIKeyCZPISIVDJCTTDT-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.00
Rot. Bonds4

About 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one

4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 73167670) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID73167670
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n(C2CC2)c1=O
InChIInChI=1S/C19H23FN4O2/c1-22-19(26)24(16-6-7-16)18(21-22)14-8-10-23(11-9-14)17(25)12-13-2-4-15(20)5-3-13/h2-5,14,16H,6-12H2,1H3
InChIKeyCZPISIVDJCTTDT-UHFFFAOYSA-N
XLogP2.00
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one (CID 73167670) is 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is Cn1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n(C2CC2)c1=O.
What is the InChIKey of 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is CZPISIVDJCTTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-22-19(26)24(16-6-7-16)18(21-22)14-8-10-23(11-9-14)17(25)12-13-2-4-15(20)5-3-13/h2-5,14,16H,6-12H2,1H3.
What are the key properties of 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one?
4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 358.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 73167670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).