1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione

C23H25N3O3 — CID 50815650

IUPAC1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione
SMILESCC1CCN(C(=O)c2ccc(Cn3c(=O)c(=O)n(C)c4ccccc43)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-16-11-13-25(14-12-16)21(27)18-9-7-17(8-10-18)15-26-20-6-4-3-5-19(20)24(2)22(28)23(26)29/h3-10,16H,11-15H2,1-2H3
InChIKeyMHARKIUGECEIBE-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.62
Rot. Bonds3

About 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione

1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione (PubChem CID 50815650) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione
PubChem CID50815650
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione
SMILESCC1CCN(C(=O)c2ccc(Cn3c(=O)c(=O)n(C)c4ccccc43)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-16-11-13-25(14-12-16)21(27)18-9-7-17(8-10-18)15-26-20-6-4-3-5-19(20)24(2)22(28)23(26)29/h3-10,16H,11-15H2,1-2H3
InChIKeyMHARKIUGECEIBE-UHFFFAOYSA-N
XLogP2.62
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione with MolForge

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Related Compounds

1-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-ethylquinoxaline-2,3-dione
CID 46375719
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
1-[4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]benzoyl]piperidine-4-carboxamide
CID 50815816
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-prop-2-enylquinoxaline-2,3-dione
CID 50817013
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 92895110
N-[(4-ethylphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815654
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830
(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 17312948
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione?
The IUPAC name of 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione (CID 50815650) is 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione.
What is the SMILES notation for 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione?
The canonical SMILES for 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione is CC1CCN(C(=O)c2ccc(Cn3c(=O)c(=O)n(C)c4ccccc43)cc2)CC1.
What is the InChIKey of 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione?
The InChIKey is MHARKIUGECEIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-11-13-25(14-12-16)21(27)18-9-7-17(8-10-18)15-26-20-6-4-3-5-19(20)24(2)22(28)23(26)29/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione?
1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione has a molecular weight of 391.47 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]quinoxaline-2,3-dione is sourced from PubChem (CID 50815650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).