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

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

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Related Compounds

2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
3-[2-(4-Cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 24791447
4-(Cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 45187451
Icrf 192
CID 124443
(7S,9aR)-N-cyclohexyl-6,9-dioxo-7-propyloctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56853077
(7S,9aR)-N-cyclohexyl-7-ethyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56859198
3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
1-Cyclohexyl-4-{[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetyl}-2-piperazinone
CID 24793171
4-(4-Aminobutanoyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789941
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

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).