2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide

C20H25N3O3 — CID 45352268

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide
SMILESCC(=O)N1CCC(NC(=O)CC2c3ccccc3C=CN2C(C)=O)CC1
InChIInChI=1S/C20H25N3O3/c1-14(24)22-10-8-17(9-11-22)21-20(26)13-19-18-6-4-3-5-16(18)7-12-23(19)15(2)25/h3-7,12,17,19H,8-11,13H2,1-2H3,(H,21,26)
InChIKeyRSYMFDOJWUOMAB-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.08
Rot. Bonds3

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide (PubChem CID 45352268) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide
PubChem CID45352268
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide
SMILESCC(=O)N1CCC(NC(=O)CC2c3ccccc3C=CN2C(C)=O)CC1
InChIInChI=1S/C20H25N3O3/c1-14(24)22-10-8-17(9-11-22)21-20(26)13-19-18-6-4-3-5-16(18)7-12-23(19)15(2)25/h3-7,12,17,19H,8-11,13H2,1-2H3,(H,21,26)
InChIKeyRSYMFDOJWUOMAB-UHFFFAOYSA-N
XLogP2.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 18149429
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 8963976
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 42924303
2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119261136
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9091672
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 51238522
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9081455
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51238433
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-hydroxypropyl)acetamide
CID 78854714
5-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119234430

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide (CID 45352268) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide is CC(=O)N1CCC(NC(=O)CC2c3ccccc3C=CN2C(C)=O)CC1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide?
The InChIKey is RSYMFDOJWUOMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(24)22-10-8-17(9-11-22)21-20(26)13-19-18-6-4-3-5-16(18)7-12-23(19)15(2)25/h3-7,12,17,19H,8-11,13H2,1-2H3,(H,21,26).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-acetylpiperidin-4-yl)acetamide is sourced from PubChem (CID 45352268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).