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

C21H26N2O6 — CID 146379820

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCCN(C(=O)C3CCOC3)C1)OCO2
InChIInChI=1S/C21H26N2O6/c1-13(24)16-8-18-19(29-12-28-18)9-17(16)22-20(25)7-14-3-2-5-23(10-14)21(26)15-4-6-27-11-15/h8-9,14-15H,2-7,10-12H2,1H3,(H,22,25)
InChIKeyXKPIRUKAAYZKDS-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.22
Rot. Bonds5

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide (PubChem CID 146379820) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide
PubChem CID146379820
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCCN(C(=O)C3CCOC3)C1)OCO2
InChIInChI=1S/C21H26N2O6/c1-13(24)16-8-18-19(29-12-28-18)9-17(16)22-20(25)7-14-3-2-5-23(10-14)21(26)15-4-6-27-11-15/h8-9,14-15H,2-7,10-12H2,1H3,(H,22,25)
InChIKeyXKPIRUKAAYZKDS-UHFFFAOYSA-N
XLogP2.22
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylic acid
CID 174163696
propyl 3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 146379907
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-acetylpyrrolidin-3-yl)acetamide
CID 146379924
methyl 6-[[2-[1-(oxolane-2-carbonyl)piperidin-3-yl]acetyl]amino]-1,3-benzodioxole-5-carboxylate
CID 146379943
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(pyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 146379985
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
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 146379928
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-(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
1-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 146379903

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide (CID 146379820) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CC1CCCN(C(=O)C3CCOC3)C1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is XKPIRUKAAYZKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-13(24)16-8-18-19(29-12-28-18)9-17(16)22-20(25)7-14-3-2-5-23(10-14)21(26)15-4-6-27-11-15/h8-9,14-15H,2-7,10-12H2,1H3,(H,22,25).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxolane-3-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 2.22, 5 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-(oxolane-3-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 146379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).