(2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone

C27H25N3O2 — CID 135300406

IUPAC(2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C27H25N3O2/c1-32-22-14-16-30(17-15-22)27(31)21-12-13-23-24(18-21)29-26(20-10-6-3-7-11-20)25(28-23)19-8-4-2-5-9-19/h2-13,18,22H,14-17H2,1H3
InChIKeyPQXGLJBBXLEPOJ-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.21
Rot. Bonds4

About (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone

(2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 135300406) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID135300406
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name(2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C27H25N3O2/c1-32-22-14-16-30(17-15-22)27(31)21-12-13-23-24(18-21)29-26(20-10-6-3-7-11-20)25(28-23)19-8-4-2-5-9-19/h2-13,18,22H,14-17H2,1H3
InChIKeyPQXGLJBBXLEPOJ-UHFFFAOYSA-N
XLogP5.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone (CID 135300406) is (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1.
What is the InChIKey of (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is PQXGLJBBXLEPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-32-22-14-16-30(17-15-22)27(31)21-12-13-23-24(18-21)29-26(20-10-6-3-7-11-20)25(28-23)19-8-4-2-5-9-19/h2-13,18,22H,14-17H2,1H3.
What are the key properties of (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone?
(2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 423.52 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylquinoxalin-6-yl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 135300406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).