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

C13H19N3O3 — CID 103803360

IUPACethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cn(C)cn2)C1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)10-5-4-6-16(7-10)12(17)11-8-15(2)9-14-11/h8-10H,3-7H2,1-2H3
InChIKeyDXMUUMGVWCWQMF-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.84
Rot. Bonds3

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

ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 103803360) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID103803360
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cn(C)cn2)C1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)10-5-4-6-16(7-10)12(17)11-8-15(2)9-14-11/h8-10H,3-7H2,1-2H3
InChIKeyDXMUUMGVWCWQMF-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

(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
CID 103859885
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl 1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidine-3-carboxylate
CID 121066862
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-[1-(difluoromethyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylate
CID 51388847

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate (CID 103803360) is ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cn(C)cn2)C1.
What is the InChIKey of ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is DXMUUMGVWCWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-13(18)10-5-4-6-16(7-10)12(17)11-8-15(2)9-14-11/h8-10H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(1-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-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 103803360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).