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

C22H28N2O6 — CID 146379932

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)C3CCCCO3)CC1)OCO2
InChIInChI=1S/C22H28N2O6/c1-14(25)16-11-19-20(30-13-29-19)12-17(16)23-21(26)10-15-5-7-24(8-6-15)22(27)18-4-2-3-9-28-18/h11-12,15,18H,2-10,13H2,1H3,(H,23,26)
InChIKeyPJHRHRYFTMJZER-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.75
Rot. Bonds5

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 146379932) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID146379932
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)C3CCCCO3)CC1)OCO2
InChIInChI=1S/C22H28N2O6/c1-14(25)16-11-19-20(30-13-29-19)12-17(16)23-21(26)10-15-5-7-24(8-6-15)22(27)18-4-2-3-9-28-18/h11-12,15,18H,2-10,13H2,1H3,(H,23,26)
InChIKeyPJHRHRYFTMJZER-UHFFFAOYSA-N
XLogP2.75
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.75
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-methylpropanoyl)piperidin-4-yl]acetamide
CID 146379928
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
propyl 4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 146379967
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 166005001
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
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-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]acetamide
CID 146379821
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-(oxolane-3-carbonyl)piperidin-3-yl]acetamide
CID 146379820
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylamino)acetamide
CID 5060533

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide (CID 146379932) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide is CC(=O)c1cc2c(cc1NC(=O)CC1CCN(C(=O)C3CCCCO3)CC1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is PJHRHRYFTMJZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-14(25)16-11-19-20(30-13-29-19)12-17(16)23-21(26)10-15-5-7-24(8-6-15)22(27)18-4-2-3-9-28-18/h11-12,15,18H,2-10,13H2,1H3,(H,23,26).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(oxane-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 416.47 g/mol, XLogP of 2.75, 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-(oxane-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 146379932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).