2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide

C20H25N3O3 — CID 4148832

IUPAC2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCCC(C)C1
InChIInChI=1S/C20H25N3O3/c1-14-6-5-9-22(12-14)19(25)11-21-18(24)13-23-15(2)10-16-7-3-4-8-17(16)20(23)26/h3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3,(H,21,24)
InChIKeyINDOEMMUXMBCIG-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.68
Rot. Bonds4

About 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide

2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 4148832) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID4148832
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCCC(C)C1
InChIInChI=1S/C20H25N3O3/c1-14-6-5-9-22(12-14)19(25)11-21-18(24)13-23-15(2)10-16-7-3-4-8-17(16)20(23)26/h3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3,(H,21,24)
InChIKeyINDOEMMUXMBCIG-UHFFFAOYSA-N
XLogP1.68
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 4148832) is 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide is Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCCC(C)C1.
What is the InChIKey of 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is INDOEMMUXMBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-6-5-9-22(12-14)19(25)11-21-18(24)13-23-15(2)10-16-7-3-4-8-17(16)20(23)26/h3-4,7-8,10,14H,5-6,9,11-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 4148832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).