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

C25H28N2O6 — CID 146379969

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide
SMILESCOc1cccc(CC(=O)N2CCC(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)CC2)c1
InChIInChI=1S/C25H28N2O6/c1-16(28)20-13-22-23(33-15-32-22)14-21(20)26-24(29)11-17-6-8-27(9-7-17)25(30)12-18-4-3-5-19(10-18)31-2/h3-5,10,13-14,17H,6-9,11-12,15H2,1-2H3,(H,26,29)
InChIKeyQFYPRXPDSYNYOB-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.44
Rot. Bonds7

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide (PubChem CID 146379969) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide
PubChem CID146379969
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide
SMILESCOc1cccc(CC(=O)N2CCC(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)CC2)c1
InChIInChI=1S/C25H28N2O6/c1-16(28)20-13-22-23(33-15-32-22)14-21(20)26-24(29)11-17-6-8-27(9-7-17)25(30)12-18-4-3-5-19(10-18)31-2/h3-5,10,13-14,17H,6-9,11-12,15H2,1-2H3,(H,26,29)
InChIKeyQFYPRXPDSYNYOB-UHFFFAOYSA-N
XLogP3.44
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 166005021
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 146379928
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]acetamide
CID 146379830
propyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 146379967
2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 146379833
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 146349789
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]acetamide
CID 146379821
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide
CID 146379932
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylic acid
CID 174163696
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 146380030

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide (CID 146379969) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide is COc1cccc(CC(=O)N2CCC(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)CC2)c1.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide?
The InChIKey is QFYPRXPDSYNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-16(28)20-13-22-23(33-15-32-22)14-21(20)26-24(29)11-17-6-8-27(9-7-17)25(30)12-18-4-3-5-19(10-18)31-2/h3-5,10,13-14,17H,6-9,11-12,15H2,1-2H3,(H,26,29).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 452.51 g/mol, XLogP of 3.44, 7 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-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 146379969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).