ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate

C14H24N4O4 — CID 144562768

IUPACethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate
SMILESCCOC(=O)CCC1(C)NC(=O)N(CN2CCNCC2)C1=O
InChIInChI=1S/C14H24N4O4/c1-3-22-11(19)4-5-14(2)12(20)18(13(21)16-14)10-17-8-6-15-7-9-17/h15H,3-10H2,1-2H3,(H,16,21)
InChIKeySGVAIXTZUPWVEN-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.50
Rot. Bonds6

About ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate

ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate (PubChem CID 144562768) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate
PubChem CID144562768
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Nameethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate
SMILESCCOC(=O)CCC1(C)NC(=O)N(CN2CCNCC2)C1=O
InChIInChI=1S/C14H24N4O4/c1-3-22-11(19)4-5-14(2)12(20)18(13(21)16-14)10-17-8-6-15-7-9-17/h15H,3-10H2,1-2H3,(H,16,21)
InChIKeySGVAIXTZUPWVEN-UHFFFAOYSA-N
XLogP-0.50
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate?
The IUPAC name of ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate (CID 144562768) is ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate?
The canonical SMILES for ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate is CCOC(=O)CCC1(C)NC(=O)N(CN2CCNCC2)C1=O.
What is the InChIKey of ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate?
The InChIKey is SGVAIXTZUPWVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-3-22-11(19)4-5-14(2)12(20)18(13(21)16-14)10-17-8-6-15-7-9-17/h15H,3-10H2,1-2H3,(H,16,21).
What are the key properties of ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate?
ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate has a molecular weight of 312.37 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-methyl-2,5-dioxo-1-(piperazin-1-ylmethyl)imidazolidin-4-yl]propanoate is sourced from PubChem (CID 144562768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).