1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane

C21H44N4O2 — CID 168921410

IUPAC1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane
SMILESCC.CC.CC.CN1CCN(N2CCN(C3CCCCC3)CC2=O)C(=O)C1
InChIInChI=1S/C15H26N4O2.3C2H6/c1-16-7-9-18(14(20)11-16)19-10-8-17(12-15(19)21)13-5-3-2-4-6-13;3*1-2/h13H,2-12H2,1H3;3*1-2H3
InChIKeyZEZGXSYCWQJDHJ-UHFFFAOYSA-N
MW384.61 g/mol
LogP3.23
Rot. Bonds2

About 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane

1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane (PubChem CID 168921410) has the molecular formula C21H44N4O2 and a molecular weight of 384.61 g/mol. Its IUPAC name is 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane.

Molecular Properties

Compound Name1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane
PubChem CID168921410
Molecular FormulaC21H44N4O2
Molecular Weight384.61 g/mol
Exact Mass384.35
IUPAC Name1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane
SMILESCC.CC.CC.CN1CCN(N2CCN(C3CCCCC3)CC2=O)C(=O)C1
InChIInChI=1S/C15H26N4O2.3C2H6/c1-16-7-9-18(14(20)11-16)19-10-8-17(12-15(19)21)13-5-3-2-4-6-13;3*1-2/h13H,2-12H2,1H3;3*1-2H3
InChIKeyZEZGXSYCWQJDHJ-UHFFFAOYSA-N
XLogP3.23
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane?
The IUPAC name of 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane (CID 168921410) is 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane.
What is the SMILES notation for 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane?
The canonical SMILES for 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane is CC.CC.CC.CN1CCN(N2CCN(C3CCCCC3)CC2=O)C(=O)C1.
What is the InChIKey of 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane?
The InChIKey is ZEZGXSYCWQJDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.3C2H6/c1-16-7-9-18(14(20)11-16)19-10-8-17(12-15(19)21)13-5-3-2-4-6-13;3*1-2/h13H,2-12H2,1H3;3*1-2H3.
What are the key properties of 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane?
1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane has a molecular weight of 384.61 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-2-oxopiperazin-1-yl)-4-methylpiperazin-2-one;ethane is sourced from PubChem (CID 168921410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).