[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

C13H19NO5 — CID 5111355

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)C2=COCCO2)C1
InChIInChI=1S/C13H19NO5/c1-10-3-2-4-14(7-10)12(15)9-19-13(16)11-8-17-5-6-18-11/h8,10H,2-7,9H2,1H3
InChIKeyKPVYSTPSCYHQPD-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.68
Rot. Bonds3

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 5111355) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID5111355
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)C2=COCCO2)C1
InChIInChI=1S/C13H19NO5/c1-10-3-2-4-14(7-10)12(15)9-19-13(16)11-8-17-5-6-18-11/h8,10H,2-7,9H2,1H3
InChIKeyKPVYSTPSCYHQPD-UHFFFAOYSA-N
XLogP0.68
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate
CID 2999247
ethyl (3R)-1-[2-(2,3-dihydro-1,4-dioxine-5-carbonyloxy)acetyl]piperidine-3-carboxylate
CID 2343484
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 2355163
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate
CID 18078989
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methylbenzoate
CID 2401543
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 4652070
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 7633938
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 46610035
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7862160
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2094002
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840667
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678453

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 5111355) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is CC1CCCN(C(=O)COC(=O)C2=COCCO2)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is KPVYSTPSCYHQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-10-3-2-4-14(7-10)12(15)9-19-13(16)11-8-17-5-6-18-11/h8,10H,2-7,9H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 5111355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).