N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

C18H24N2O4 — CID 108520656

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NCC2COc3ccccc3O2)C1
InChIInChI=1S/C18H24N2O4/c1-12-7-13(2)10-20(9-12)18(22)17(21)19-8-14-11-23-15-5-3-4-6-16(15)24-14/h3-6,12-14H,7-11H2,1-2H3,(H,19,21)
InChIKeyNPAXZKIQAYOORP-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.45
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108520656) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108520656
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NCC2COc3ccccc3O2)C1
InChIInChI=1S/C18H24N2O4/c1-12-7-13(2)10-20(9-12)18(22)17(21)19-8-14-11-23-15-5-3-4-6-16(15)24-14/h3-6,12-14H,7-11H2,1-2H3,(H,19,21)
InChIKeyNPAXZKIQAYOORP-UHFFFAOYSA-N
XLogP1.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-morpholin-4-yl-2-oxoacetamide
CID 2237644
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-propan-2-yloxamide
CID 34566020
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 18103292
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918798
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-prop-2-enyloxamide
CID 108526464
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methylcyclohexyl)oxamide
CID 108525087
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108529023
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79793283

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108520656) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CC(C)CN(C(=O)C(=O)NCC2COc3ccccc3O2)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is NPAXZKIQAYOORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-7-13(2)10-20(9-12)18(22)17(21)19-8-14-11-23-15-5-3-4-6-16(15)24-14/h3-6,12-14H,7-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 332.40 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108520656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).