2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone

C15H20N2O3 — CID 110849867

IUPAC2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2cccc3c2OCO3)CC1
InChIInChI=1S/C15H20N2O3/c1-2-16-6-8-17(9-7-16)14(18)10-12-4-3-5-13-15(12)20-11-19-13/h3-5H,2,6-11H2,1H3
InChIKeyNEQCOOGQWYJZGD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.12
Rot. Bonds3

About 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 110849867) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID110849867
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2cccc3c2OCO3)CC1
InChIInChI=1S/C15H20N2O3/c1-2-16-6-8-17(9-7-16)14(18)10-12-4-3-5-13-15(12)20-11-19-13/h3-5H,2,6-11H2,1H3
InChIKeyNEQCOOGQWYJZGD-UHFFFAOYSA-N
XLogP1.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110853146
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
CID 70905419
2-(1,3-benzodioxol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854804
1-(azepan-1-yl)-3-(1,3-benzodioxol-4-yl)propan-1-one
CID 110856289
3-(1,3-benzodioxol-4-yl)-1-piperazin-1-ylpropan-1-one
CID 110833385
3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one
CID 110849296
1-(azepan-1-yl)-2-(1,3-benzodioxol-4-ylmethylamino)ethanone
CID 61211152
1-[4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]piperazin-1-yl]hexan-1-one
CID 90769640
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
2-(1,3-benzodioxol-4-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110857070
1,3-benzodioxol-4-yl-(4-methylpiperazin-1-yl)methanone
CID 110699409
2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 51120604

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 110849867) is 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cc2cccc3c2OCO3)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is NEQCOOGQWYJZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-16-6-8-17(9-7-16)14(18)10-12-4-3-5-13-15(12)20-11-19-13/h3-5H,2,6-11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 276.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110849867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).