N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide

C22H31N5O3 — CID 18525283

IUPACN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)CC1
InChIInChI=1S/C22H31N5O3/c1-15-6-10-26(11-7-15)14-20(28)23-16-12-18-19(13-17(16)27-8-4-5-9-27)25(3)22(30)21(29)24(18)2/h12-13,15H,4-11,14H2,1-3H3,(H,23,28)
InChIKeyJGLCXEBYGRPQJA-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.51
Rot. Bonds4

About N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide

N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 18525283) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID18525283
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)CC1
InChIInChI=1S/C22H31N5O3/c1-15-6-10-26(11-7-15)14-20(28)23-16-12-18-19(13-17(16)27-8-4-5-9-27)25(3)22(30)21(29)24(18)2/h12-13,15H,4-11,14H2,1-3H3,(H,23,28)
InChIKeyJGLCXEBYGRPQJA-UHFFFAOYSA-N
XLogP1.51
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide
CID 50820460
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide
CID 50792271
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-thiophen-2-ylacetamide
CID 50792075
N-[1,4-dimethyl-7-(4-methylpiperazin-1-yl)-2,3-dioxoquinoxalin-6-yl]acetamide
CID 50792205
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)furan-2-carboxamide
CID 22433222
2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide (CID 18525283) is N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)CC1.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is JGLCXEBYGRPQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-15-6-10-26(11-7-15)14-20(28)23-16-12-18-19(13-17(16)27-8-4-5-9-27)25(3)22(30)21(29)24(18)2/h12-13,15H,4-11,14H2,1-3H3,(H,23,28).
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 18525283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).