ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate

C15H23N3O4 — CID 136574576

IUPACethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCN(CC(=O)OC)CC2)[nH]c1C
InChIInChI=1S/C15H23N3O4/c1-4-22-15(20)13-10(2)16-14(17-13)11-5-7-18(8-6-11)9-12(19)21-3/h11H,4-9H2,1-3H3,(H,16,17)
InChIKeyUBWDOOBDYQBKNW-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.25
Rot. Bonds5

About ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate

ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 136574576) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate
PubChem CID136574576
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nameethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCN(CC(=O)OC)CC2)[nH]c1C
InChIInChI=1S/C15H23N3O4/c1-4-22-15(20)13-10(2)16-14(17-13)11-5-7-18(8-6-11)9-12(19)21-3/h11H,4-9H2,1-3H3,(H,16,17)
InChIKeyUBWDOOBDYQBKNW-UHFFFAOYSA-N
XLogP1.25
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate (CID 136574576) is ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(C2CCN(CC(=O)OC)CC2)[nH]c1C.
What is the InChIKey of ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is UBWDOOBDYQBKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-22-15(20)13-10(2)16-14(17-13)11-5-7-18(8-6-11)9-12(19)21-3/h11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate?
ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 136574576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).