2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide

C24H35N5O3 — CID 23199760

IUPAC2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide
SMILESCCCCc1cc2ccccc2c(OCCN(C)CC(=O)NC(=O)NN2CCCCC2)n1
InChIInChI=1S/C24H35N5O3/c1-3-4-11-20-17-19-10-6-7-12-21(19)23(25-20)32-16-15-28(2)18-22(30)26-24(31)27-29-13-8-5-9-14-29/h6-7,10,12,17H,3-5,8-9,11,13-16,18H2,1-2H3,(H2,26,27,30,31)
InChIKeyQIQXLJDVUBRYHC-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.11
Rot. Bonds10

About 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide

2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide (PubChem CID 23199760) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide
PubChem CID23199760
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide
SMILESCCCCc1cc2ccccc2c(OCCN(C)CC(=O)NC(=O)NN2CCCCC2)n1
InChIInChI=1S/C24H35N5O3/c1-3-4-11-20-17-19-10-6-7-12-21(19)23(25-20)32-16-15-28(2)18-22(30)26-24(31)27-29-13-8-5-9-14-29/h6-7,10,12,17H,3-5,8-9,11,13-16,18H2,1-2H3,(H2,26,27,30,31)
InChIKeyQIQXLJDVUBRYHC-UHFFFAOYSA-N
XLogP3.11
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide (CID 23199760) is 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide is CCCCc1cc2ccccc2c(OCCN(C)CC(=O)NC(=O)NN2CCCCC2)n1.
What is the InChIKey of 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide?
The InChIKey is QIQXLJDVUBRYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-3-4-11-20-17-19-10-6-7-12-21(19)23(25-20)32-16-15-28(2)18-22(30)26-24(31)27-29-13-8-5-9-14-29/h6-7,10,12,17H,3-5,8-9,11,13-16,18H2,1-2H3,(H2,26,27,30,31).
What are the key properties of 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide?
2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide has a molecular weight of 441.58 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]-N-(piperidin-1-ylcarbamoyl)acetamide is sourced from PubChem (CID 23199760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).