3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one

C19H16FN5O2 — CID 50951502

IUPAC3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cnnn2-c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O2/c20-14-8-6-13(7-9-14)17-18(26)21-10-11-24(17)19(27)16-12-22-23-25(16)15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H,21,26)
InChIKeyMSBQUIWVPMVBKZ-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.72
Rot. Bonds3

About 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one

3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one (PubChem CID 50951502) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one
PubChem CID50951502
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cnnn2-c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O2/c20-14-8-6-13(7-9-14)17-18(26)21-10-11-24(17)19(27)16-12-22-23-25(16)15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H,21,26)
InChIKeyMSBQUIWVPMVBKZ-UHFFFAOYSA-N
XLogP1.72
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one (CID 50951502) is 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one is O=C1NCCN(C(=O)c2cnnn2-c2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one?
The InChIKey is MSBQUIWVPMVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-14-8-6-13(7-9-14)17-18(26)21-10-11-24(17)19(27)16-12-22-23-25(16)15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H,21,26).
What are the key properties of 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one?
3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one has a molecular weight of 365.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 50951502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).