[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate

C16H26N2O6 — CID 121305988

IUPAC[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
SMILESCCOC(=O)C(OC(=O)N1CCCCC1)OC(=O)N1CCCCC1
InChIInChI=1S/C16H26N2O6/c1-2-22-13(19)14(23-15(20)17-9-5-3-6-10-17)24-16(21)18-11-7-4-8-12-18/h14H,2-12H2,1H3
InChIKeyYUMVEDZAZZFPSJ-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.12
Rot. Bonds4

About [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate

[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate (PubChem CID 121305988) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
PubChem CID121305988
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
SMILESCCOC(=O)C(OC(=O)N1CCCCC1)OC(=O)N1CCCCC1
InChIInChI=1S/C16H26N2O6/c1-2-22-13(19)14(23-15(20)17-9-5-3-6-10-17)24-16(21)18-11-7-4-8-12-18/h14H,2-12H2,1H3
InChIKeyYUMVEDZAZZFPSJ-UHFFFAOYSA-N
XLogP2.12
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azetidine-1-carboxylate
CID 14088501
propyl azepane-1-carboxylate
CID 91585333
1-fluorobutyl piperidine-1-carboxylate
CID 68735520
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
3-(pyrrolidine-1-carbonyloxy)butan-2-yl pyrrolidine-1-carboxylate
CID 118272075
[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate
CID 175255491
3-methylbutan-2-yl piperidine-1-carboxylate
CID 127537756
ethyl 2-hydroxyimino-2-piperidin-1-ylacetate
CID 53396291
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] piperidine-1-carboxylate
CID 91068339
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
CID 158772757

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate?
The IUPAC name of [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate (CID 121305988) is [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate.
What is the SMILES notation for [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate?
The canonical SMILES for [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate is CCOC(=O)C(OC(=O)N1CCCCC1)OC(=O)N1CCCCC1.
What is the InChIKey of [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate?
The InChIKey is YUMVEDZAZZFPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-2-22-13(19)14(23-15(20)17-9-5-3-6-10-17)24-16(21)18-11-7-4-8-12-18/h14H,2-12H2,1H3.
What are the key properties of [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate?
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate is sourced from PubChem (CID 121305988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).