(2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone

C25H22N4O — CID 135300408

IUPAC(2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(-c3cccnc3)nc2c1)N1CCCCC1
InChIInChI=1S/C25H22N4O/c30-25(29-14-5-2-6-15-29)19-11-12-21-22(16-19)28-24(20-10-7-13-26-17-20)23(27-21)18-8-3-1-4-9-18/h1,3-4,7-13,16-17H,2,5-6,14-15H2
InChIKeyOBUHDNPWHRAXMR-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.98
Rot. Bonds3

About (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone

(2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone (PubChem CID 135300408) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
PubChem CID135300408
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name(2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(-c3cccnc3)nc2c1)N1CCCCC1
InChIInChI=1S/C25H22N4O/c30-25(29-14-5-2-6-15-29)19-11-12-21-22(16-19)28-24(20-10-7-13-26-17-20)23(27-21)18-8-3-1-4-9-18/h1,3-4,7-13,16-17H,2,5-6,14-15H2
InChIKeyOBUHDNPWHRAXMR-UHFFFAOYSA-N
XLogP4.98
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone (CID 135300408) is (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone is O=C(c1ccc2nc(-c3ccccc3)c(-c3cccnc3)nc2c1)N1CCCCC1.
What is the InChIKey of (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is OBUHDNPWHRAXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c30-25(29-14-5-2-6-15-29)19-11-12-21-22(16-19)28-24(20-10-7-13-26-17-20)23(27-21)18-8-3-1-4-9-18/h1,3-4,7-13,16-17H,2,5-6,14-15H2.
What are the key properties of (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone?
(2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 394.48 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3-pyridin-3-ylquinoxalin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 135300408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).