N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C18H25N3O4 — CID 2880292

IUPACN'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC(C)(C)N1
InChIInChI=1S/C18H25N3O4/c1-17(2)8-12(9-18(3,4)21-17)20-16(23)15(22)19-11-5-6-13-14(7-11)25-10-24-13/h5-7,12,21H,8-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyLWXFGQHSIVPZDV-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.78
Rot. Bonds2

About N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 2880292) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID2880292
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC(C)(C)N1
InChIInChI=1S/C18H25N3O4/c1-17(2)8-12(9-18(3,4)21-17)20-16(23)15(22)19-11-5-6-13-14(7-11)25-10-24-13/h5-7,12,21H,8-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyLWXFGQHSIVPZDV-UHFFFAOYSA-N
XLogP1.78
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108508541
N'-(4-chloro-3-hydroxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 71590634
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
1-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86871002
N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide
CID 108531049
N'-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]oxamide
CID 108530599
N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide
CID 108531851
N'-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]oxamide
CID 2290813
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzodioxole-5-carboxamide
CID 4093721
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,1-dioxothiolan-3-yl)oxamide
CID 108985698
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
2-(4-acetylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-2-oxoacetamide
CID 108508457

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 2880292) is N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC(C)(C)N1.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is LWXFGQHSIVPZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-17(2)8-12(9-18(3,4)21-17)20-16(23)15(22)19-11-5-6-13-14(7-11)25-10-24-13/h5-7,12,21H,8-10H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 347.42 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 2880292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).