ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate

C17H21NO5 — CID 3151131

IUPACethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C17H21NO5/c1-2-21-17(20)12-7-9-18(10-8-12)16(19)15-11-22-13-5-3-4-6-14(13)23-15/h3-6,12,15H,2,7-11H2,1H3
InChIKeyJEUICIXUAMZFAH-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.63
Rot. Bonds3

About ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 3151131) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate
PubChem CID3151131
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Nameethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C17H21NO5/c1-2-21-17(20)12-7-9-18(10-8-12)16(19)15-11-22-13-5-3-4-6-14(13)23-15/h3-6,12,15H,2,7-11H2,1H3
InChIKeyJEUICIXUAMZFAH-UHFFFAOYSA-N
XLogP1.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-4-methylpiperidine
CID 2843517
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperidine
CID 3125219
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 168280751
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 3911564
1-(4-Benzylpiperidin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 6471824
1-acetyl-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 9534152
2,3-Dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanone
CID 2867174
2-(2,3-Dihydro-1,4-benzodioxine-3-carbonylamino)ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 3145410
Ethyl 1-[2-[2-(2-methoxyphenoxy)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 2997657
2,3-Dihydro-1,4-benzodioxin-3-yl-(3-methylpiperidin-1-yl)methanone
CID 4477666
N-[3-(morpholin-4-yl)propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 5106182
2H,3H-benzo[e]1,4-dioxin-2-yl 4-ethylpiperazinyl ketone
CID 2934395

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate (CID 3151131) is ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2COc3ccccc3O2)CC1.
What is the InChIKey of ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is JEUICIXUAMZFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-2-21-17(20)12-7-9-18(10-8-12)16(19)15-11-22-13-5-3-4-6-14(13)23-15/h3-6,12,15H,2,7-11H2,1H3.
What are the key properties of ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 3151131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).