ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate

C14H24N2O4 — CID 102655936

IUPACethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)COC1(C)CNC1
InChIInChI=1S/C14H24N2O4/c1-3-19-13(18)11-6-4-5-7-16(11)12(17)8-20-14(2)9-15-10-14/h11,15H,3-10H2,1-2H3
InChIKeyQLDNRMLQPZCZBV-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.31
Rot. Bonds5

About ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate

ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate (PubChem CID 102655936) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate
PubChem CID102655936
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)COC1(C)CNC1
InChIInChI=1S/C14H24N2O4/c1-3-19-13(18)11-6-4-5-7-16(11)12(17)8-20-14(2)9-15-10-14/h11,15H,3-10H2,1-2H3
InChIKeyQLDNRMLQPZCZBV-UHFFFAOYSA-N
XLogP0.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-[2-(1,1-dioxothiolan-3-yl)acetyl]piperidine-2-carboxylate
CID 78915883
ethyl 1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylate
CID 66427655
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
2-O-[2-[(2S)-2-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8572679
ethyl 1-(1-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 60952886
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 115448178

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate (CID 102655936) is ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)COC1(C)CNC1.
What is the InChIKey of ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate?
The InChIKey is QLDNRMLQPZCZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-19-13(18)11-6-4-5-7-16(11)12(17)8-20-14(2)9-15-10-14/h11,15H,3-10H2,1-2H3.
What are the key properties of ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate?
ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate is sourced from PubChem (CID 102655936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).