N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide

C15H20N2O3 — CID 863856

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-17(7-5-11)9-15(18)16-12-2-3-13-14(8-12)20-10-19-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,16,18)
InChIKeyBEURSUNEXHTIKM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.09
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 863856) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID863856
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-17(7-5-11)9-15(18)16-12-2-3-13-14(8-12)20-10-19-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,16,18)
InChIKeyBEURSUNEXHTIKM-UHFFFAOYSA-N
XLogP2.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide (CID 863856) is N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is BEURSUNEXHTIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-6-17(7-5-11)9-15(18)16-12-2-3-13-14(8-12)20-10-19-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 863856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).