N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide

C25H28N2O5 — CID 167605837

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCC(C(=O)CCc3ccccc3)CC1)OCO2
InChIInChI=1S/C25H28N2O5/c1-17(28)20-13-23-24(32-16-31-23)14-21(20)26-25(30)15-27-11-9-19(10-12-27)22(29)8-7-18-5-3-2-4-6-18/h2-6,13-14,19H,7-12,15-16H2,1H3,(H,26,30)
InChIKeyKJEXYSASCSSJAM-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.47
Rot. Bonds8

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide (PubChem CID 167605837) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide
PubChem CID167605837
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CN1CCC(C(=O)CCc3ccccc3)CC1)OCO2
InChIInChI=1S/C25H28N2O5/c1-17(28)20-13-23-24(32-16-31-23)14-21(20)26-25(30)15-27-11-9-19(10-12-27)22(29)8-7-18-5-3-2-4-6-18/h2-6,13-14,19H,7-12,15-16H2,1H3,(H,26,30)
InChIKeyKJEXYSASCSSJAM-UHFFFAOYSA-N
XLogP3.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223352
2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30739132
N-[1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidin-4-yl]propanamide
CID 146379911
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725718
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
CID 148712456
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-benzylsulfanylacetamide
CID 7784900
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 166004980
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 166005040
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084866
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 18084854
1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 146379903
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 1439070

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide (CID 167605837) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CN1CCC(C(=O)CCc3ccccc3)CC1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide?
The InChIKey is KJEXYSASCSSJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-17(28)20-13-23-24(32-16-31-23)14-21(20)26-25(30)15-27-11-9-19(10-12-27)22(29)8-7-18-5-3-2-4-6-18/h2-6,13-14,19H,7-12,15-16H2,1H3,(H,26,30).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-phenylpropanoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 167605837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).