3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one

C21H36N4O3 — CID 24793171

IUPAC3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C21H36N4O3/c1-16(2)8-10-23-11-9-22-21(28)18(23)14-19(26)24-12-13-25(20(27)15-24)17-6-4-3-5-7-17/h16-18H,3-15H2,1-2H3,(H,22,28)
InChIKeyQLHFBDILBDELLF-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.23
Rot. Bonds6

About 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one

3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one (PubChem CID 24793171) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
PubChem CID24793171
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C21H36N4O3/c1-16(2)8-10-23-11-9-22-21(28)18(23)14-19(26)24-12-13-25(20(27)15-24)17-6-4-3-5-7-17/h16-18H,3-15H2,1-2H3,(H,22,28)
InChIKeyQLHFBDILBDELLF-UHFFFAOYSA-N
XLogP1.23
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The IUPAC name of 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one (CID 24793171) is 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one.
What is the SMILES notation for 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The canonical SMILES for 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one is CC(C)CCN1CCNC(=O)C1CC(=O)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
The InChIKey is QLHFBDILBDELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-16(2)8-10-23-11-9-22-21(28)18(23)14-19(26)24-12-13-25(20(27)15-24)17-6-4-3-5-7-17/h16-18H,3-15H2,1-2H3,(H,22,28).
What are the key properties of 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one?
3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one has a molecular weight of 392.54 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one is sourced from PubChem (CID 24793171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).