methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate

C11H15N3O4 — CID 43407251

IUPACmethyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H15N3O4/c1-18-10(16)7-2-4-14(5-3-7)9(15)8-6-12-11(17)13-8/h6-7H,2-5H2,1H3,(H2,12,13,17)
InChIKeyOBBXJTRIUKCGSJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.27
Rot. Bonds2

About methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate

methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 43407251) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID43407251
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H15N3O4/c1-18-10(16)7-2-4-14(5-3-7)9(15)8-6-12-11(17)13-8/h6-7H,2-5H2,1H3,(H2,12,13,17)
InChIKeyOBBXJTRIUKCGSJ-UHFFFAOYSA-N
XLogP-0.27
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate (CID 43407251) is methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2c[nH]c(=O)[nH]2)CC1.
What is the InChIKey of methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is OBBXJTRIUKCGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-18-10(16)7-2-4-14(5-3-7)9(15)8-6-12-11(17)13-8/h6-7H,2-5H2,1H3,(H2,12,13,17).
What are the key properties of methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 253.26 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43407251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).