methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate

C12H19N3O3 — CID 117225277

IUPACmethyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate
SMILESCOC(=O)c1[nH]c(=O)[nH]c1CCN1CCCCC1
InChIInChI=1S/C12H19N3O3/c1-18-11(16)10-9(13-12(17)14-10)5-8-15-6-3-2-4-7-15/h2-8H2,1H3,(H2,13,14,17)
InChIKeyWMNNQTKZXPLVIM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.52
Rot. Bonds4

About methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate

methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate (PubChem CID 117225277) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate
PubChem CID117225277
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate
SMILESCOC(=O)c1[nH]c(=O)[nH]c1CCN1CCCCC1
InChIInChI=1S/C12H19N3O3/c1-18-11(16)10-9(13-12(17)14-10)5-8-15-6-3-2-4-7-15/h2-8H2,1H3,(H2,13,14,17)
InChIKeyWMNNQTKZXPLVIM-UHFFFAOYSA-N
XLogP0.52
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-methoxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 117225302
methyl 3-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-1H-imidazole-5-carboxylate
CID 117225270
methyl 3-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]-2-sulfanylidene-1H-imidazole-5-carboxylate
CID 117225272
methyl 3-[[2-(azepan-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 658228
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
2-methoxy-N-(4-piperidin-1-ylbutyl)acetamide
CID 110443559
methyl (2S)-2-methyl-3-(2-piperidin-1-ylethylamino)propanoate
CID 94133680
methyl 4-(azocan-1-yl)butanoate
CID 43377737
ethane;methyl 5-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 170711792
methyl 4-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxylate
CID 83898084
2-(2-methoxyethoxy)-N-(2-piperidin-1-ylethyl)acetamide
CID 113223173

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate (CID 117225277) is methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate is COC(=O)c1[nH]c(=O)[nH]c1CCN1CCCCC1.
What is the InChIKey of methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is WMNNQTKZXPLVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-18-11(16)10-9(13-12(17)14-10)5-8-15-6-3-2-4-7-15/h2-8H2,1H3,(H2,13,14,17).
What are the key properties of methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate?
methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-5-(2-piperidin-1-ylethyl)-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 117225277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).