[1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea

C15H16F3N5O2 — CID 142709271

IUPAC[1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCOc1nc2c(F)c(F)c(F)cc2nc1N1CCC(NC(N)=O)CC1
InChIInChI=1S/C15H16F3N5O2/c1-25-14-13(23-4-2-7(3-5-23)20-15(19)24)21-9-6-8(16)10(17)11(18)12(9)22-14/h6-7H,2-5H2,1H3,(H3,19,20,24)
InChIKeyOYEMVJXZTOHEDA-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.69
Rot. Bonds3

About [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea

[1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea (PubChem CID 142709271) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea
PubChem CID142709271
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name[1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea
SMILESCOc1nc2c(F)c(F)c(F)cc2nc1N1CCC(NC(N)=O)CC1
InChIInChI=1S/C15H16F3N5O2/c1-25-14-13(23-4-2-7(3-5-23)20-15(19)24)21-9-6-8(16)10(17)11(18)12(9)22-14/h6-7H,2-5H2,1H3,(H3,19,20,24)
InChIKeyOYEMVJXZTOHEDA-UHFFFAOYSA-N
XLogP1.69
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea?
The IUPAC name of [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea (CID 142709271) is [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea is COc1nc2c(F)c(F)c(F)cc2nc1N1CCC(NC(N)=O)CC1.
What is the InChIKey of [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea?
The InChIKey is OYEMVJXZTOHEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-25-14-13(23-4-2-7(3-5-23)20-15(19)24)21-9-6-8(16)10(17)11(18)12(9)22-14/h6-7H,2-5H2,1H3,(H3,19,20,24).
What are the key properties of [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea?
[1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea has a molecular weight of 355.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 142709271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).