N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide

C17H24N2O3 — CID 51302524

IUPACN-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1CCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H24N2O3/c1-2-14-5-3-4-9-19(14)10-8-17(20)18-13-6-7-15-16(11-13)22-12-21-15/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,18,20)
InChIKeyNXJLNQGXMPIRHJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.01
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide

N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide (PubChem CID 51302524) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide
PubChem CID51302524
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1CCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H24N2O3/c1-2-14-5-3-4-9-19(14)10-8-17(20)18-13-6-7-15-16(11-13)22-12-21-15/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,18,20)
InChIKeyNXJLNQGXMPIRHJ-UHFFFAOYSA-N
XLogP3.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910626
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-(3-chlorophenyl)-3-[(2R)-2-ethylpiperidin-1-yl]propanamide
CID 684899
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
N-(1,3-benzodioxol-5-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928499
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100686363
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 38766641
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119911565
N-[4-(2-ethylpiperidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112985450
N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626129

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide (CID 51302524) is N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide is CCC1CCCCN1CCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide?
The InChIKey is NXJLNQGXMPIRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-14-5-3-4-9-19(14)10-8-17(20)18-13-6-7-15-16(11-13)22-12-21-15/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 51302524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).