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

C20H34N4O3 — CID 24791447

IUPAC3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCNC(=O)C1CC(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C20H34N4O3/c1-15(2)13-22-9-8-21-20(27)17(22)12-18(25)23-10-11-24(19(26)14-23)16-6-4-3-5-7-16/h15-17H,3-14H2,1-2H3,(H,21,27)
InChIKeyAPESWJCZROQAQL-UHFFFAOYSA-N
MW378.52 g/mol
LogP0.84
Rot. Bonds5

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

3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one (PubChem CID 24791447) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
PubChem CID24791447
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCNC(=O)C1CC(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C20H34N4O3/c1-15(2)13-22-9-8-21-20(27)17(22)12-18(25)23-10-11-24(19(26)14-23)16-6-4-3-5-7-16/h15-17H,3-14H2,1-2H3,(H,21,27)
InChIKeyAPESWJCZROQAQL-UHFFFAOYSA-N
XLogP0.84
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.84
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-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one (CID 24791447) is 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCNC(=O)C1CC(=O)N1CCN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one?
The InChIKey is APESWJCZROQAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-15(2)13-22-9-8-21-20(27)17(22)12-18(25)23-10-11-24(19(26)14-23)16-6-4-3-5-7-16/h15-17H,3-14H2,1-2H3,(H,21,27).
What are the key properties of 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one?
3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one has a molecular weight of 378.52 g/mol, XLogP of 0.84, 5 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-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 24791447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).