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

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

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Related Compounds

4-(Cyclohexylmethyl)-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]piperazin-2-one
CID 16190342
1-cyclohexyl-N-(3-(4-methylpiperazin-1-yl)propyl)-5-oxopyrrolidine-3-carboxamide
CID 3244366
1-Cyclohexyl-4-[(1-methyl-3-oxo-2-piperazinyl)acetyl]-2-piperazinone
CID 24817509
4-(Cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 45187451
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
N-[1-[2-(dicyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220907
(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 11912128
1-Cyclohexyl-4-{[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}-2-piperazinone
CID 24793171
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
N-[4-oxo-4-(3-oxo-4-piperidin-4-ylpiperazin-1-yl)butyl]acetamide
CID 134790481
N-methyl-2-(3-oxo-1-piperidin-4-ylpiperazin-2-yl)acetamide
CID 56711685
2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 127318912

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).