[2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate

C20H34N2O6 — CID 55311881

IUPAC[2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)N1CCN(C(=O)COC(=O)CCC(C)C)CC1
InChIInChI=1S/C20H34N2O6/c1-15(2)5-7-19(25)27-13-17(23)21-9-11-22(12-10-21)18(24)14-28-20(26)8-6-16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyPLBKRHGZUZGYRR-UHFFFAOYSA-N
MW398.50 g/mol
LogP1.62
Rot. Bonds10

About [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate

[2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate (PubChem CID 55311881) has the molecular formula C20H34N2O6 and a molecular weight of 398.50 g/mol. Its IUPAC name is [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate.

Molecular Properties

Compound Name[2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate
PubChem CID55311881
Molecular FormulaC20H34N2O6
Molecular Weight398.50 g/mol
Exact Mass398.24
IUPAC Name[2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)N1CCN(C(=O)COC(=O)CCC(C)C)CC1
InChIInChI=1S/C20H34N2O6/c1-15(2)5-7-19(25)27-13-17(23)21-9-11-22(12-10-21)18(24)14-28-20(26)8-6-16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyPLBKRHGZUZGYRR-UHFFFAOYSA-N
XLogP1.62
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate with MolForge

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Related Compounds

[2-[4-(3-methylbutyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 163778051
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
3-hydroxypropyl 4-methylpentanoate
CID 87401837
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
CID 88715072
(2-oxo-2-piperidin-1-ylethyl) propanoate
CID 57259337
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate
CID 78876077
2-methyl-2-[4-(4-methylpentanoyl)piperazin-1-yl]propanethioamide
CID 63343518
[4-(4-methylpentanoyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174494816
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one
CID 118137210

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate?
The IUPAC name of [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate (CID 55311881) is [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate.
What is the SMILES notation for [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate?
The canonical SMILES for [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate is CC(C)CCC(=O)OCC(=O)N1CCN(C(=O)COC(=O)CCC(C)C)CC1.
What is the InChIKey of [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate?
The InChIKey is PLBKRHGZUZGYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O6/c1-15(2)5-7-19(25)27-13-17(23)21-9-11-22(12-10-21)18(24)14-28-20(26)8-6-16(3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate?
[2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate has a molecular weight of 398.50 g/mol, XLogP of 1.62, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(4-methylpentanoyloxy)acetyl]piperazin-1-yl]-2-oxoethyl] 4-methylpentanoate is sourced from PubChem (CID 55311881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).