(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone

C26H23N3O — CID 1230006

IUPAC(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C26H23N3O/c30-26(29-16-8-3-9-17-29)21-14-15-22-23(18-21)28-25(20-12-6-2-7-13-20)24(27-22)19-10-4-1-5-11-19/h1-2,4-7,10-15,18H,3,8-9,16-17H2
InChIKeyBDEDTAFRAQLAGJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.59
Rot. Bonds3

About (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone

(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone (PubChem CID 1230006) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone
PubChem CID1230006
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C26H23N3O/c30-26(29-16-8-3-9-17-29)21-14-15-22-23(18-21)28-25(20-12-6-2-7-13-20)24(27-22)19-10-4-1-5-11-19/h1-2,4-7,10-15,18H,3,8-9,16-17H2
InChIKeyBDEDTAFRAQLAGJ-UHFFFAOYSA-N
XLogP5.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Quinoxalin-6-ylcarbonyl)piperidine
CID 148184
15-Pgdh-IN-1
CID 135300446
Pyridine amide, 33
CID 44237007
9-methyl-N-[2-[methyl-[3-[methyl-[2-[(9-methylphenazine-1-carbonyl)amino]ethyl]amino]propyl]amino]ethyl]phenazine-1-carboxamide
CID 9873997
9-methyl-N-[3-[methyl-[3-[(9-methylphenazine-1-carbonyl)amino]propyl]amino]propyl]phenazine-1-carboxamide
CID 10054059
N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide
CID 9462807
N-benzyl-2-phenylquinoline-4-carboxamide
CID 667698
3-Methyl-~{n}-[2-(4-Methylpiperazin-1-Yl)-5-Quinolin-3-Yl-Phenyl]benzamide
CID 91995965
N-(2-aminophenyl)quinoxaline-6-carboxamide
CID 23648267
4-dimethylamino-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzamide hydrochloride
CID 122185531
N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide
CID 858922
N-(2,5-dimethylphenyl)quinoxaline-6-carboxamide
CID 858924

Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone (CID 1230006) is (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone is O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1.
What is the InChIKey of (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is BDEDTAFRAQLAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c30-26(29-16-8-3-9-17-29)21-14-15-22-23(18-21)28-25(20-12-6-2-7-13-20)24(27-22)19-10-4-1-5-11-19/h1-2,4-7,10-15,18H,3,8-9,16-17H2.
What are the key properties of (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
(2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 393.49 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylquinoxalin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 1230006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).