2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

C23H25N3O2 — CID 26074503

IUPAC2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1
InChIInChI=1S/C23H25N3O2/c1-28-18-7-5-17(6-8-18)15-23(27)25-21-9-10-22(26-13-3-2-4-14-26)19-11-12-24-16-20(19)21/h5-12,16H,2-4,13-15H2,1H3,(H,25,27)
InChIKeyDUVKCENNTCJXSK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide

2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (PubChem CID 26074503) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
PubChem CID26074503
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1
InChIInChI=1S/C23H25N3O2/c1-28-18-7-5-17(6-8-18)15-23(27)25-21-9-10-22(26-13-3-2-4-14-26)19-11-12-24-16-20(19)21/h5-12,16H,2-4,13-15H2,1H3,(H,25,27)
InChIKeyDUVKCENNTCJXSK-UHFFFAOYSA-N
XLogP4.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55493627
2-cyclohexyloxy-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 71889674
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide
CID 26074590
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 37314134
2-(9-oxoacridin-10-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 55501395
N-[4-oxo-4-[(5-piperidin-1-ylisoquinolin-8-yl)amino]butyl]benzamide
CID 39235528
N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660
2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-(5-morpholin-4-ylisoquinolin-8-yl)acetamide
CID 154834341
4-methylsulfonyl-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
CID 17472994
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870
2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 95154351
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide
CID 95154350

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide (CID 26074503) is 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
The InChIKey is DUVKCENNTCJXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-18-7-5-17(6-8-18)15-23(27)25-21-9-10-22(26-13-3-2-4-14-26)19-11-12-24-16-20(19)21/h5-12,16H,2-4,13-15H2,1H3,(H,25,27).
What are the key properties of 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide?
2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)acetamide is sourced from PubChem (CID 26074503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).