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

C24H26N2O5 — CID 166005040

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)Cc3ccccc3)CC1)OCO2
InChIInChI=1S/C24H26N2O5/c1-16(27)19-13-21-22(31-15-30-21)14-20(19)25-23(28)11-18-7-9-26(10-8-18)24(29)12-17-5-3-2-4-6-17/h2-6,13-14,18H,7-12,15H2,1H3,(H,25,28)
InChIKeyPBYXTBMLJHCUDF-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.43
Rot. Bonds6

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide (PubChem CID 166005040) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
PubChem CID166005040
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)Cc3ccccc3)CC1)OCO2
InChIInChI=1S/C24H26N2O5/c1-16(27)19-13-21-22(31-15-30-21)14-20(19)25-23(28)11-18-7-9-26(10-8-18)24(29)12-17-5-3-2-4-6-17/h2-6,13-14,18H,7-12,15H2,1H3,(H,25,28)
InChIKeyPBYXTBMLJHCUDF-UHFFFAOYSA-N
XLogP3.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-methoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 146379969
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 146379928
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide
CID 146379924
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 146349789
propyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 146379967
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
3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylic acid
CID 174163696
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]acetamide
CID 146379830
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-benzylsulfanylacetamide
CID 7784900
4-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methylamino]piperidine-1-carboxylic acid
CID 174163699

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide (CID 166005040) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)Cc3ccccc3)CC1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide?
The InChIKey is PBYXTBMLJHCUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-16(27)19-13-21-22(31-15-30-21)14-20(19)25-23(28)11-18-7-9-26(10-8-18)24(29)12-17-5-3-2-4-6-17/h2-6,13-14,18H,7-12,15H2,1H3,(H,25,28).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide has a molecular weight of 422.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 166005040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).