[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C16H25N3O5 — CID 46812413

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C16H25N3O5/c1-16(2,3)14(22)18-7-4-11(5-8-18)13(21)24-10-12(20)19-9-6-17-15(19)23/h11H,4-10H2,1-3H3,(H,17,23)
InChIKeyKQHYZQVSFFYYST-UHFFFAOYSA-N
MW339.39 g/mol
LogP0.37
Rot. Bonds3

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 46812413) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID46812413
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C16H25N3O5/c1-16(2,3)14(22)18-7-4-11(5-8-18)13(21)24-10-12(20)19-9-6-17-15(19)23/h11H,4-10H2,1-3H3,(H,17,23)
InChIKeyKQHYZQVSFFYYST-UHFFFAOYSA-N
XLogP0.37
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55367299
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55367371
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 27793157
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 42987354
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
CID 47012368
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812470
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-phenylacetate
CID 7874639
naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711326
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 46812376
[2-oxo-2-(phenylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059242

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 46812413) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)N2CCNC2=O)CC1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is KQHYZQVSFFYYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-16(2,3)14(22)18-7-4-11(5-8-18)13(21)24-10-12(20)19-9-6-17-15(19)23/h11H,4-10H2,1-3H3,(H,17,23).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 46812413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).