2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C19H27N3O4 — CID 51120604

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(Cc2cccc3c2OCCO3)CC1)N1CCOCC1
InChIInChI=1S/C19H27N3O4/c23-18(22-8-10-24-11-9-22)15-21-6-4-20(5-7-21)14-16-2-1-3-17-19(16)26-13-12-25-17/h1-3H,4-15H2
InChIKeyJHOPRYPLFJFHRS-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.43
Rot. Bonds4

About 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 51120604) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID51120604
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(Cc2cccc3c2OCCO3)CC1)N1CCOCC1
InChIInChI=1S/C19H27N3O4/c23-18(22-8-10-24-11-9-22)15-21-6-4-20(5-7-21)14-16-2-1-3-17-19(16)26-13-12-25-17/h1-3H,4-15H2
InChIKeyJHOPRYPLFJFHRS-UHFFFAOYSA-N
XLogP0.43
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
1-morpholin-4-yl-2-[4-[(2-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 17445200
3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one
CID 110849296
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 2315916
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113753
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55829818
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51128933
4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
CID 34710306
1-[4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]piperazin-1-yl]hexan-1-one
CID 90769640
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 51120604) is 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCN(Cc2cccc3c2OCCO3)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is JHOPRYPLFJFHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c23-18(22-8-10-24-11-9-22)15-21-6-4-20(5-7-21)14-16-2-1-3-17-19(16)26-13-12-25-17/h1-3H,4-15H2.
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 361.44 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 51120604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).