methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate

C13H22N4O4 — CID 78983614

IUPACmethyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C13H22N4O4/c1-21-12(19)2-4-15-6-8-16(9-7-15)10-11(18)17-5-3-14-13(17)20/h2-10H2,1H3,(H,14,20)
InChIKeyYNPYABJEHXNWNC-UHFFFAOYSA-N
MW298.34 g/mol
LogP-1.28
Rot. Bonds5

About methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate

methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate (PubChem CID 78983614) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate
PubChem CID78983614
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Namemethyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C13H22N4O4/c1-21-12(19)2-4-15-6-8-16(9-7-15)10-11(18)17-5-3-14-13(17)20/h2-10H2,1H3,(H,14,20)
InChIKeyYNPYABJEHXNWNC-UHFFFAOYSA-N
XLogP-1.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(ethylaminomethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
CID 80552515
1-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 47073365
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
1-[2-(3,5-dimethylpiperazin-1-yl)acetyl]imidazolidin-2-one
CID 63872731
1-[2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 95344088
1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
CID 9367747
ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate
CID 143593823
methyl 2-oxoimidazolidine-1-carboxylate
CID 11788357
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-[4-[2-(methylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78982381
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate (CID 78983614) is methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CC(=O)N2CCNC2=O)CC1.
What is the InChIKey of methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate?
The InChIKey is YNPYABJEHXNWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-21-12(19)2-4-15-6-8-16(9-7-15)10-11(18)17-5-3-14-13(17)20/h2-10H2,1H3,(H,14,20).
What are the key properties of methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate?
methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate has a molecular weight of 298.34 g/mol, XLogP of -1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 78983614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).