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

C24H26N2O6 — CID 166005021

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)Cc3ccccc3O)CC1)OCO2
InChIInChI=1S/C24H26N2O6/c1-15(27)18-12-21-22(32-14-31-21)13-19(18)25-23(29)10-16-6-8-26(9-7-16)24(30)11-17-4-2-3-5-20(17)28/h2-5,12-13,16,28H,6-11,14H2,1H3,(H,25,29)
InChIKeyGQXVRRGMJVRFLQ-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.13
Rot. Bonds6

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide (PubChem CID 166005021) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide
PubChem CID166005021
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)Cc3ccccc3O)CC1)OCO2
InChIInChI=1S/C24H26N2O6/c1-15(27)18-12-21-22(32-14-31-21)13-19(18)25-23(29)10-16-6-8-26(9-7-16)24(30)11-17-4-2-3-5-20(17)28/h2-5,12-13,16,28H,6-11,14H2,1H3,(H,25,29)
InChIKeyGQXVRRGMJVRFLQ-UHFFFAOYSA-N
XLogP3.13
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
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-acetylpyrrolidin-3-yl)acetamide
CID 146379924
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-(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-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 146379985
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]acetamide
CID 146379830
2-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 146379833

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide (CID 166005021) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)Cc3ccccc3O)CC1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide?
The InChIKey is GQXVRRGMJVRFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-15(27)18-12-21-22(32-14-31-21)13-19(18)25-23(29)10-16-6-8-26(9-7-16)24(30)11-17-4-2-3-5-20(17)28/h2-5,12-13,16,28H,6-11,14H2,1H3,(H,25,29).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 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-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 166005021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).