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

C19H27N3O4 — CID 108508541

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC(C)(C)N1
InChIInChI=1S/C19H27N3O4/c1-18(2)8-13(9-19(3,4)22-18)21-17(24)16(23)20-10-12-5-6-14-15(7-12)26-11-25-14/h5-7,13,22H,8-11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyUBQDBYWTCBNUEB-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.46
Rot. Bonds3

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

N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 108508541) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID108508541
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC(C)(C)N1
InChIInChI=1S/C19H27N3O4/c1-18(2)8-13(9-19(3,4)22-18)21-17(24)16(23)20-10-12-5-6-14-15(7-12)26-11-25-14/h5-7,13,22H,8-11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyUBQDBYWTCBNUEB-UHFFFAOYSA-N
XLogP1.46
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.46
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-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 2880292
N-[(4-methoxyphenyl)methyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 2215150
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S,3S)-3-[(1,3-benzodioxol-5-ylmethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 1166834
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-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126
2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 75531892
2-(2,3-dihydro-1-benzofuran-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 71709657
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
4-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxobutanamide
CID 58348844
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2,3,5,6-tetrafluorophenyl)methyl]oxamide
CID 166184902

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 108508541) is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC(C)(C)N1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is UBQDBYWTCBNUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-18(2)8-13(9-19(3,4)22-18)21-17(24)16(23)20-10-12-5-6-14-15(7-12)26-11-25-14/h5-7,13,22H,8-11H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 361.44 g/mol, XLogP of 1.46, 3 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-ylmethyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108508541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).