2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C25H33N3O4 — CID 13393356

IUPAC2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC(NCC(O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C25H33N3O4/c1-17-6-5-7-18(2)25(17)27-24(30)15-28-12-10-19(11-13-28)26-14-20(29)23-16-31-21-8-3-4-9-22(21)32-23/h3-9,19-20,23,26,29H,10-16H2,1-2H3,(H,27,30)
InChIKeyAZECFCNXCJPXLN-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.50
Rot. Bonds7

About 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 13393356) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID13393356
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC(NCC(O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C25H33N3O4/c1-17-6-5-7-18(2)25(17)27-24(30)15-28-12-10-19(11-13-28)26-14-20(29)23-16-31-21-8-3-4-9-22(21)32-23/h3-9,19-20,23,26,29H,10-16H2,1-2H3,(H,27,30)
InChIKeyAZECFCNXCJPXLN-UHFFFAOYSA-N
XLogP2.50
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

acetic acid;2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 70091394
2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(4-methylsulfinylphenyl)acetamide
CID 54322164
2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 13393395
N-(2,6-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914366
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]ethanol
CID 12855736
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42940797
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56509640
1-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
CID 12608520
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
[2-(2,6-dimethylanilino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2614754

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 13393356) is 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCC(NCC(O)C2COc3ccccc3O2)CC1.
What is the InChIKey of 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is AZECFCNXCJPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-17-6-5-7-18(2)25(17)27-24(30)15-28-12-10-19(11-13-28)26-14-20(29)23-16-31-21-8-3-4-9-22(21)32-23/h3-9,19-20,23,26,29H,10-16H2,1-2H3,(H,27,30).
What are the key properties of 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 13393356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).