1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid

C14H13Cl2N3O2 — CID 122047407

IUPAC1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1
InChIInChI=1S/C14H13Cl2N3O2/c15-9-5-11-12(6-10(9)16)18-13(7-17-11)19-3-1-8(2-4-19)14(20)21/h5-8H,1-4H2,(H,20,21)
InChIKeyDSOURIJKIFDLAE-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.24
Rot. Bonds2

About 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid

1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid (PubChem CID 122047407) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid
PubChem CID122047407
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1
InChIInChI=1S/C14H13Cl2N3O2/c15-9-5-11-12(6-10(9)16)18-13(7-17-11)19-3-1-8(2-4-19)14(20)21/h5-8H,1-4H2,(H,20,21)
InChIKeyDSOURIJKIFDLAE-UHFFFAOYSA-N
XLogP3.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid (CID 122047407) is 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1.
What is the InChIKey of 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is DSOURIJKIFDLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c15-9-5-11-12(6-10(9)16)18-13(7-17-11)19-3-1-8(2-4-19)14(20)21/h5-8H,1-4H2,(H,20,21).
What are the key properties of 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid?
1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 326.18 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloroquinoxalin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122047407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).