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

C13H19N3O3 — CID 103511701

IUPACethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cncn2C)C1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)10-5-4-6-16(8-10)12(17)11-7-14-9-15(11)2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyHHIDMFKOOJYDKL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.84
Rot. Bonds3

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

ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 103511701) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID103511701
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cncn2C)C1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)10-5-4-6-16(8-10)12(17)11-7-14-9-15(11)2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyHHIDMFKOOJYDKL-UHFFFAOYSA-N
XLogP0.84
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 43409185
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19491999
ethyl (3S)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338391
ethyl (3R)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338794

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate (CID 103511701) is ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cncn2C)C1.
What is the InChIKey of ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is HHIDMFKOOJYDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-13(18)10-5-4-6-16(8-10)12(17)11-7-14-9-15(11)2/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 103511701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).