ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate

C13H22N2O4 — CID 3670313

IUPACethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C13H22N2O4/c1-2-19-12(16)11-4-3-5-15(10-11)13(17)14-6-8-18-9-7-14/h11H,2-10H2,1H3
InChIKeyLWYQBXHQASBJHF-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.71
Rot. Bonds2

About ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate (PubChem CID 3670313) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate
PubChem CID3670313
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nameethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C13H22N2O4/c1-2-19-12(16)11-4-3-5-15(10-11)13(17)14-6-8-18-9-7-14/h11H,2-10H2,1H3
InChIKeyLWYQBXHQASBJHF-UHFFFAOYSA-N
XLogP0.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
Ethyl 1-(diethylcarbamoyl)-4-oxopiperidine-3-carboxylate
CID 11311747
Ethyl 1-[(dimethylamino)carbonyl]piperidine-3-carboxylate
CID 2973524
Ethyl 1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 2986637
3-(2-Methoxyethyl)-1-(4-morpholinylcarbonyl)-3-piperidinecarboxylic acid
CID 72931993
ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate
CID 2228482
Ethyl 1-(4-oxopiperidine-1-carbonyl)piperidine-3-carboxylate
CID 18173872
Ethyl 1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylate
CID 23588410
Ethyl 1-carbamoylpiperidine-3-carboxylate
CID 24697535
1-(Morpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 43135678
ethyl (3S)-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 59091299
Ethyl 1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
CID 60686884

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate (CID 3670313) is ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)N2CCOCC2)C1.
What is the InChIKey of ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is LWYQBXHQASBJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-19-12(16)11-4-3-5-15(10-11)13(17)14-6-8-18-9-7-14/h11H,2-10H2,1H3.
What are the key properties of ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(morpholine-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 3670313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).