(3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone

C20H19N3O — CID 135300284

IUPAC(3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ncc(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C20H19N3O/c24-20(23-11-5-2-6-12-23)16-9-10-17-18(13-16)22-19(14-21-17)15-7-3-1-4-8-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2
InChIKeyFDRHNSNZVSTXGX-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.92
Rot. Bonds2

About (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone

(3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone (PubChem CID 135300284) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone
PubChem CID135300284
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ncc(-c3ccccc3)nc2c1)N1CCCCC1
InChIInChI=1S/C20H19N3O/c24-20(23-11-5-2-6-12-23)16-9-10-17-18(13-16)22-19(14-21-17)15-7-3-1-4-8-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2
InChIKeyFDRHNSNZVSTXGX-UHFFFAOYSA-N
XLogP3.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Quinoxalin-6-ylcarbonyl)piperidine
CID 148184
IWR-1-endo
CID 44483163
15-Pgdh-IN-1
CID 135300446
4-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567125
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
Naphtho(3,2-F)quinoxaline-7,12-dione
CID 12567021
IWR-1-exo
CID 1163034
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
benzo[c][1,5]naphthyridin-6(5H)-one
CID 10535869
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925641

Frequently Asked Questions

What is the IUPAC name of (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone (CID 135300284) is (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone is O=C(c1ccc2ncc(-c3ccccc3)nc2c1)N1CCCCC1.
What is the InChIKey of (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is FDRHNSNZVSTXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(23-11-5-2-6-12-23)16-9-10-17-18(13-16)22-19(14-21-17)15-7-3-1-4-8-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2.
What are the key properties of (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone?
(3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 317.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylquinoxalin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 135300284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).