methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate

C13H21N3O4 — CID 61363381

IUPACmethyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCN1C(=O)CNC1=O
InChIInChI=1S/C13H21N3O4/c1-20-12(18)8-10-4-2-3-5-15(10)6-7-16-11(17)9-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)
InChIKeyLMXXFWPBZBYIHH-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.04
Rot. Bonds5

About methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate (PubChem CID 61363381) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate
PubChem CID61363381
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Namemethyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCN1C(=O)CNC1=O
InChIInChI=1S/C13H21N3O4/c1-20-12(18)8-10-4-2-3-5-15(10)6-7-16-11(17)9-14-13(16)19/h10H,2-9H2,1H3,(H,14,19)
InChIKeyLMXXFWPBZBYIHH-UHFFFAOYSA-N
XLogP-0.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 62027718
3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 62733667
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
CID 124613957
methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
CID 62028861
methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 62028286
methyl 2-[1-(4-cyanobutyl)piperidin-2-yl]acetate
CID 62028480
methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
CID 62026011
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555
3-[2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 95609927
CID 87065582
CID 87065582
methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate
CID 106708111
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate (CID 61363381) is methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CCN1C(=O)CNC1=O.
What is the InChIKey of methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate?
The InChIKey is LMXXFWPBZBYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-20-12(18)8-10-4-2-3-5-15(10)6-7-16-11(17)9-14-13(16)19/h10H,2-9H2,1H3,(H,14,19).
What are the key properties of methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate has a molecular weight of 283.33 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 61363381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).