3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid

C17H19N5O2 — CID 45030912

IUPAC3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid
SMILESO=C(O)CCc1nnc2c(N3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C17H19N5O2/c23-15(24)9-8-14-19-20-17-16(21-10-4-1-5-11-21)18-12-6-2-3-7-13(12)22(14)17/h2-3,6-7H,1,4-5,8-11H2,(H,23,24)
InChIKeyMKMJPIRPTCQEOW-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.29
Rot. Bonds4

About 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid

3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid (PubChem CID 45030912) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid
PubChem CID45030912
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid
SMILESO=C(O)CCc1nnc2c(N3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C17H19N5O2/c23-15(24)9-8-14-19-20-17-16(21-10-4-1-5-11-21)18-12-6-2-3-7-13(12)22(14)17/h2-3,6-7H,1,4-5,8-11H2,(H,23,24)
InChIKeyMKMJPIRPTCQEOW-UHFFFAOYSA-N
XLogP2.29
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid?
The IUPAC name of 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid (CID 45030912) is 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid is O=C(O)CCc1nnc2c(N3CCCCC3)nc3ccccc3n12.
What is the InChIKey of 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid?
The InChIKey is MKMJPIRPTCQEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-15(24)9-8-14-19-20-17-16(21-10-4-1-5-11-21)18-12-6-2-3-7-13(12)22(14)17/h2-3,6-7H,1,4-5,8-11H2,(H,23,24).
What are the key properties of 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid?
3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid has a molecular weight of 325.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)propanoic acid is sourced from PubChem (CID 45030912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).