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

C23H28N2O3 — CID 4134861

IUPAC2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N2CCCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)17-6-9-19(10-7-17)24-23(26)22(25-12-4-3-5-13-25)18-8-11-20-21(14-18)28-15-27-20/h6-11,14,16,22H,3-5,12-13,15H2,1-2H3,(H,24,26)
InChIKeyQMYOOOVFQWDUQO-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.70
Rot. Bonds5

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

2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 4134861) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID4134861
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N2CCCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)17-6-9-19(10-7-17)24-23(26)22(25-12-4-3-5-13-25)18-8-11-20-21(14-18)28-15-27-20/h6-11,14,16,22H,3-5,12-13,15H2,1-2H3,(H,24,26)
InChIKeyQMYOOOVFQWDUQO-UHFFFAOYSA-N
XLogP4.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.70
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-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide (CID 4134861) is 2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N2CCCCC2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is QMYOOOVFQWDUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)17-6-9-19(10-7-17)24-23(26)22(25-12-4-3-5-13-25)18-8-11-20-21(14-18)28-15-27-20/h6-11,14,16,22H,3-5,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.70, 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-piperidin-1-yl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 4134861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).