methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate

C14H24N2O4 — CID 110817694

IUPACmethyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C14H24N2O4/c1-11(2)10-13(18)16-8-6-15(7-9-16)12(17)4-5-14(19)20-3/h11H,4-10H2,1-3H3
InChIKeyIMTUQESIHNJTNF-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.66
Rot. Bonds5

About methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate

methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate (PubChem CID 110817694) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate
PubChem CID110817694
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C14H24N2O4/c1-11(2)10-13(18)16-8-6-15(7-9-16)12(17)4-5-14(19)20-3/h11H,4-10H2,1-3H3
InChIKeyIMTUQESIHNJTNF-UHFFFAOYSA-N
XLogP0.66
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate with MolForge

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Related Compounds

methyl 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817886
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
methyl 4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110796986
methyl 4-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-oxobutanoate
CID 134071376
methyl 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-oxobutanoate
CID 94020551
methyl 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanoate
CID 54788082
methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
CID 110712317
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
ethane;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
CID 178000239
methyl 4-(3,4-dimethylpiperazin-1-yl)-4-oxobutanoate
CID 110707573
3-methoxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanoic acid
CID 112519900
2-amino-N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60946727

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate (CID 110817694) is methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate is COC(=O)CCC(=O)N1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate?
The InChIKey is IMTUQESIHNJTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11(2)10-13(18)16-8-6-15(7-9-16)12(17)4-5-14(19)20-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate?
methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate has a molecular weight of 284.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 110817694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).