N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide

C17H24N2O3 — CID 3365341

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O3/c1-2-14-5-3-4-8-19(14)12-17(20)18-13-6-7-15-16(11-13)22-10-9-21-15/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,18,20)
InChIKeyGBLMILISIMJJSM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.66
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide (PubChem CID 3365341) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
PubChem CID3365341
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H24N2O3/c1-2-14-5-3-4-8-19(14)12-17(20)18-13-6-7-15-16(11-13)22-10-9-21-15/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,18,20)
InChIKeyGBLMILISIMJJSM-UHFFFAOYSA-N
XLogP2.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Eltoprazine
CID 65853
Samelisant
CID 60151477
Eltoprazine hydrochloride
CID 3025067
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
Acetamide, N-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
CID 3033717
(2,3-Dihydro-1,4-benzodioxin-6-yl)urea
CID 3837306
2,3-Dihydroxy-6,7-dimethoxyquinoxaline
CID 613780
N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
CID 760826
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755
1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-hexyl-piperazine
CID 14960327
1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-octyl-piperazine
CID 14960328

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide (CID 3365341) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide is CCC1CCCCN1CC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide?
The InChIKey is GBLMILISIMJJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-14-5-3-4-8-19(14)12-17(20)18-13-6-7-15-16(11-13)22-10-9-21-15/h6-7,11,14H,2-5,8-10,12H2,1H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.66, 4 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-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3365341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).