N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

C18H24N2O4 — CID 113178396

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCC(C)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H24N2O4/c1-13-5-7-19(8-6-13)18(22)12-20(14(2)21)15-3-4-16-17(11-15)24-10-9-23-16/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyXLOCXJSYTZIGEW-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.07
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113178396) 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-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID113178396
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCC(C)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H24N2O4/c1-13-5-7-19(8-6-13)18(22)12-20(14(2)21)15-3-4-16-17(11-15)24-10-9-23-16/h3-4,11,13H,5-10,12H2,1-2H3
InChIKeyXLOCXJSYTZIGEW-UHFFFAOYSA-N
XLogP2.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113174822
N-[4-(diethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113176828
N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175886
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132985
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113180832
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113175111
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942842
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N,N-dipropylacetamide
CID 113178455
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132829
N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113178178
N-(4-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169288

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 113178396) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCC(C)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is XLOCXJSYTZIGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-5-7-19(8-6-13)18(22)12-20(14(2)21)15-3-4-16-17(11-15)24-10-9-23-16/h3-4,11,13H,5-10,12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113178396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).