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

C17H28N4O3 — CID 24817509

IUPAC3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one
SMILESCN1CCNC(=O)C1CC(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C17H28N4O3/c1-19-8-7-18-17(24)14(19)11-15(22)20-9-10-21(16(23)12-20)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,18,24)
InChIKeySXKMSJPNIJYGPV-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.19
Rot. Bonds3

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

3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one (PubChem CID 24817509) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one
PubChem CID24817509
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one
SMILESCN1CCNC(=O)C1CC(=O)N1CCN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C17H28N4O3/c1-19-8-7-18-17(24)14(19)11-15(22)20-9-10-21(16(23)12-20)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,18,24)
InChIKeySXKMSJPNIJYGPV-UHFFFAOYSA-N
XLogP-0.19
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.19
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-methylpiperazin-2-one?
The IUPAC name of 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one (CID 24817509) is 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one?
The canonical SMILES for 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one is 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-methylpiperazin-2-one?
The InChIKey is SXKMSJPNIJYGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-19-8-7-18-17(24)14(19)11-15(22)20-9-10-21(16(23)12-20)13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,18,24).
What are the key properties of 3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one?
3-[2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methylpiperazin-2-one has a molecular weight of 336.44 g/mol, XLogP of -0.19, 3 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-methylpiperazin-2-one is sourced from PubChem (CID 24817509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).