ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate

C14H23N3O4 — CID 118359354

IUPACethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate
SMILESCCOC(=O)CC1(C)NC(=O)N(CN2CCCCC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-3-21-11(18)9-14(2)12(19)17(13(20)15-14)10-16-7-5-4-6-8-16/h3-10H2,1-2H3,(H,15,20)
InChIKeyLBCSBUUGTRSEMB-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.69
Rot. Bonds5

About ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate

ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate (PubChem CID 118359354) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate
PubChem CID118359354
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate
SMILESCCOC(=O)CC1(C)NC(=O)N(CN2CCCCC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-3-21-11(18)9-14(2)12(19)17(13(20)15-14)10-16-7-5-4-6-8-16/h3-10H2,1-2H3,(H,15,20)
InChIKeyLBCSBUUGTRSEMB-UHFFFAOYSA-N
XLogP0.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate?
The IUPAC name of ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate (CID 118359354) is ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate is CCOC(=O)CC1(C)NC(=O)N(CN2CCCCC2)C1=O.
What is the InChIKey of ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate?
The InChIKey is LBCSBUUGTRSEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-21-11(18)9-14(2)12(19)17(13(20)15-14)10-16-7-5-4-6-8-16/h3-10H2,1-2H3,(H,15,20).
What are the key properties of ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate?
ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate has a molecular weight of 297.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methyl-2,5-dioxo-1-(piperidin-1-ylmethyl)imidazolidin-4-yl]acetate is sourced from PubChem (CID 118359354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).