N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide

C20H25N3O3 — CID 15999296

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCC1CC(C)CN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1
InChIInChI=1S/C20H25N3O3/c1-14-9-15(2)12-23(11-14)19(25)10-21-18(24)13-22-8-7-16-5-3-4-6-17(16)20(22)26/h3-8,14-15H,9-13H2,1-2H3,(H,21,24)
InChIKeyIQZAKMIKRFJIGT-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide (PubChem CID 15999296) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
PubChem CID15999296
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
SMILESCC1CC(C)CN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1
InChIInChI=1S/C20H25N3O3/c1-14-9-15(2)12-23(11-14)19(25)10-21-18(24)13-22-8-7-16-5-3-4-6-17(16)20(22)26/h3-8,14-15H,9-13H2,1-2H3,(H,21,24)
InChIKeyIQZAKMIKRFJIGT-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide (CID 15999296) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide is CC1CC(C)CN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is IQZAKMIKRFJIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-9-15(2)12-23(11-14)19(25)10-21-18(24)13-22-8-7-16-5-3-4-6-17(16)20(22)26/h3-8,14-15H,9-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 15999296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).