2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

C16H20BrN3O4 — CID 24564936

IUPAC2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc3c(cc2Br)OCCO3)CC1
InChIInChI=1S/C16H20BrN3O4/c1-11(21)20-4-2-19(3-5-20)10-16(22)18-13-9-15-14(8-12(13)17)23-6-7-24-15/h8-9H,2-7,10H2,1H3,(H,18,22)
InChIKeyPQDHDDGEYBDALG-UHFFFAOYSA-N
MW398.26 g/mol
LogP1.32
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (PubChem CID 24564936) has the molecular formula C16H20BrN3O4 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
PubChem CID24564936
Molecular FormulaC16H20BrN3O4
Molecular Weight398.26 g/mol
Exact Mass397.06
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc3c(cc2Br)OCCO3)CC1
InChIInChI=1S/C16H20BrN3O4/c1-11(21)20-4-2-19(3-5-20)10-16(22)18-13-9-15-14(8-12(13)17)23-6-7-24-15/h8-9H,2-7,10H2,1H3,(H,18,22)
InChIKeyPQDHDDGEYBDALG-UHFFFAOYSA-N
XLogP1.32
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-anilino-2-oxoethyl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine-1-carboxamide
CID 55696118
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 41176398
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 166005001
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3H-pyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 167697536
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-hydroxypentanamide
CID 79200507
2-[4-[2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24568587
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
CID 148712456
2-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 107903641
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564858
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37405381
2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)butanamide
CID 43702364

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (CID 24564936) is 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is CC(=O)N1CCN(CC(=O)Nc2cc3c(cc2Br)OCCO3)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The InChIKey is PQDHDDGEYBDALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O4/c1-11(21)20-4-2-19(3-5-20)10-16(22)18-13-9-15-14(8-12(13)17)23-6-7-24-15/h8-9H,2-7,10H2,1H3,(H,18,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide has a molecular weight of 398.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is sourced from PubChem (CID 24564936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).