ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate

C15H21NO7 — CID 2343484

IUPACethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)C2=COCCO2)C1
InChIInChI=1S/C15H21NO7/c1-2-21-14(18)11-4-3-5-16(8-11)13(17)10-23-15(19)12-9-20-6-7-22-12/h9,11H,2-8,10H2,1H3/t11-/m1/s1
InChIKeyHTYYJLUVRQEYTR-LLVKDONJSA-N
MW327.33 g/mol
LogP0.22
Rot. Bonds5

About ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate (PubChem CID 2343484) has the molecular formula C15H21NO7 and a molecular weight of 327.33 g/mol. Its IUPAC name is ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate
PubChem CID2343484
Molecular FormulaC15H21NO7
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Nameethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)C2=COCCO2)C1
InChIInChI=1S/C15H21NO7/c1-2-21-14(18)11-4-3-5-16(8-11)13(17)10-23-15(19)12-9-20-6-7-22-12/h9,11H,2-8,10H2,1H3/t11-/m1/s1
InChIKeyHTYYJLUVRQEYTR-LLVKDONJSA-N
XLogP0.22
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate
CID 2999247
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 5111355
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl (3S)-1-[2-(4-cyanobenzoyl)oxyacetyl]piperidine-3-carboxylate
CID 2338003
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55506082
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate (CID 2343484) is ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)C2=COCCO2)C1.
What is the InChIKey of ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate?
The InChIKey is HTYYJLUVRQEYTR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO7/c1-2-21-14(18)11-4-3-5-16(8-11)13(17)10-23-15(19)12-9-20-6-7-22-12/h9,11H,2-8,10H2,1H3/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate has a molecular weight of 327.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 2343484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).