1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide

C17H20N4O4 — CID 46356950

IUPAC1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide
SMILESCn1c(=O)c(=O)n(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc21
InChIInChI=1S/C17H20N4O4/c1-19-12-4-2-3-5-13(12)21(17(25)16(19)24)10-14(22)20-8-6-11(7-9-20)15(18)23/h2-5,11H,6-10H2,1H3,(H2,18,23)
InChIKeyGFPNLMOILJOKIA-UHFFFAOYSA-N
MW344.37 g/mol
LogP-0.58
Rot. Bonds3

About 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide

1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 46356950) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID46356950
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide
SMILESCn1c(=O)c(=O)n(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc21
InChIInChI=1S/C17H20N4O4/c1-19-12-4-2-3-5-13(12)21(17(25)16(19)24)10-14(22)20-8-6-11(7-9-20)15(18)23/h2-5,11H,6-10H2,1H3,(H2,18,23)
InChIKeyGFPNLMOILJOKIA-UHFFFAOYSA-N
XLogP-0.58
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate
CID 46356947
1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide
CID 32978761
1-[2-(4-ethyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetyl]piperidine-4-carboxamide
CID 16675470
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94512675
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-[2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetyl]piperidine-4-carboxamide
CID 16669007
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide
CID 53299026
1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione
CID 46786299
1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110023664
1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione
CID 46357345
1-[4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]benzoyl]piperidine-4-carboxamide
CID 50815816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide (CID 46356950) is 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide is Cn1c(=O)c(=O)n(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc21.
What is the InChIKey of 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is GFPNLMOILJOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-19-12-4-2-3-5-13(12)21(17(25)16(19)24)10-14(22)20-8-6-11(7-9-20)15(18)23/h2-5,11H,6-10H2,1H3,(H2,18,23).
What are the key properties of 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide?
1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 46356950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).