N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide

C19H23N5O4 — CID 175651502

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
SMILESCn1ncc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1=O
InChIInChI=1S/C19H23N5O4/c1-22-19(26)11-15(12-20-22)24-6-4-23(5-7-24)13-18(25)21-14-2-3-16-17(10-14)28-9-8-27-16/h2-3,10-12H,4-9,13H2,1H3,(H,21,25)
InChIKeyZHVAGTCKWDYGPI-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.31
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide (PubChem CID 175651502) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
PubChem CID175651502
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
SMILESCn1ncc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1=O
InChIInChI=1S/C19H23N5O4/c1-22-19(26)11-15(12-20-22)24-6-4-23(5-7-24)13-18(25)21-14-2-3-16-17(10-14)28-9-8-27-16/h2-3,10-12H,4-9,13H2,1H3,(H,21,25)
InChIKeyZHVAGTCKWDYGPI-UHFFFAOYSA-N
XLogP0.31
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171998509
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146864
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 1443738
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
CID 171704634
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30957498
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 45361840
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 166605999
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 5152111
2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 172892684

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide (CID 175651502) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide is Cn1ncc(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is ZHVAGTCKWDYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-22-19(26)11-15(12-20-22)24-6-4-23(5-7-24)13-18(25)21-14-2-3-16-17(10-14)28-9-8-27-16/h2-3,10-12H,4-9,13H2,1H3,(H,21,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 175651502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).