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

C24H30N2O3 — CID 4135049

IUPAC2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC1CCN(C(C(=O)Nc2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H30N2O3/c1-16(2)18-4-7-20(8-5-18)25-24(27)23(26-12-10-17(3)11-13-26)19-6-9-21-22(14-19)29-15-28-21/h4-9,14,16-17,23H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyUAJLFSGGSFDSFY-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.95
Rot. Bonds5

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

2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 4135049) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID4135049
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC1CCN(C(C(=O)Nc2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H30N2O3/c1-16(2)18-4-7-20(8-5-18)25-24(27)23(26-12-10-17(3)11-13-26)19-6-9-21-22(14-19)29-15-28-21/h4-9,14,16-17,23H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyUAJLFSGGSFDSFY-UHFFFAOYSA-N
XLogP4.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 4135049) is 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is CC1CCN(C(C(=O)Nc2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is UAJLFSGGSFDSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16(2)18-4-7-20(8-5-18)25-24(27)23(26-12-10-17(3)11-13-26)19-6-9-21-22(14-19)29-15-28-21/h4-9,14,16-17,23H,10-13,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 4135049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).