N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide

C21H30N4O3 — CID 50792271

IUPACN-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide
SMILESCC1CCN(c2cc3c(cc2NC(=O)C(C)(C)C)n(C)c(=O)c(=O)n3C)CC1
InChIInChI=1S/C21H30N4O3/c1-13-7-9-25(10-8-13)15-12-17-16(23(5)18(26)19(27)24(17)6)11-14(15)22-20(28)21(2,3)4/h11-13H,7-10H2,1-6H3,(H,22,28)
InChIKeySMVCLJUPCUOPAX-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.46
Rot. Bonds2

About N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide

N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide (PubChem CID 50792271) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide
PubChem CID50792271
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide
SMILESCC1CCN(c2cc3c(cc2NC(=O)C(C)(C)C)n(C)c(=O)c(=O)n3C)CC1
InChIInChI=1S/C21H30N4O3/c1-13-7-9-25(10-8-13)15-12-17-16(23(5)18(26)19(27)24(17)6)11-14(15)22-20(28)21(2,3)4/h11-13H,7-10H2,1-6H3,(H,22,28)
InChIKeySMVCLJUPCUOPAX-UHFFFAOYSA-N
XLogP2.46
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide (CID 50792271) is N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide is CC1CCN(c2cc3c(cc2NC(=O)C(C)(C)C)n(C)c(=O)c(=O)n3C)CC1.
What is the InChIKey of N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide?
The InChIKey is SMVCLJUPCUOPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-13-7-9-25(10-8-13)15-12-17-16(23(5)18(26)19(27)24(17)6)11-14(15)22-20(28)21(2,3)4/h11-13H,7-10H2,1-6H3,(H,22,28).
What are the key properties of N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide?
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide has a molecular weight of 386.50 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 50792271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).