[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone

C20H20N4O — CID 135300412

IUPAC[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESNc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C20H20N4O/c21-16-7-4-14(5-8-16)19-13-22-17-9-6-15(12-18(17)23-19)20(25)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11,21H2
InChIKeyZYSXMBSZNWZKOT-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.51
Rot. Bonds2

About [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135300412) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135300412
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESNc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C20H20N4O/c21-16-7-4-14(5-8-16)19-13-22-17-9-6-15(12-18(17)23-19)20(25)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11,21H2
InChIKeyZYSXMBSZNWZKOT-UHFFFAOYSA-N
XLogP3.51
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(2-methylpyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 159555657
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
N,3-dimethyl-5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-1H-indole-2-carboxamide
CID 135300348
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 74232037
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
3-(4-chlorophenyl)quinoxaline-6-carboxylic acid
CID 146673768
[3-(2-methylpyrazolo[3,4-b]pyridin-5-yl)quinoxalin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 172583210
6-[7-[(3R)-3-hydroxypiperidine-1-carbonyl]quinoxalin-2-yl]-2-methylisoquinolin-1-one
CID 172583004
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135300412) is [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone is Nc1ccc(-c2cnc3ccc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is ZYSXMBSZNWZKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-16-7-4-14(5-8-16)19-13-22-17-9-6-15(12-18(17)23-19)20(25)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11,21H2.
What are the key properties of [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 332.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminophenyl)quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).