1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

C17H28N2O2 — CID 107851383

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C17H28N2O2/c1-12(2)14-15(20)18-17(3,4)16(21)19(14)11-10-13-8-6-5-7-9-13/h8,12,14H,5-7,9-11H2,1-4H3,(H,18,20)
InChIKeySGDRARCALKWMFZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.64
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 107851383) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID107851383
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C17H28N2O2/c1-12(2)14-15(20)18-17(3,4)16(21)19(14)11-10-13-8-6-5-7-9-13/h8,12,14H,5-7,9-11H2,1-4H3,(H,18,20)
InChIKeySGDRARCALKWMFZ-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

1-but-3-ynyl-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64972499
3,3-dimethyl-6-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519251
1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 106171898
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64901017
1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 106440656
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
1-[2-(cyclohexen-1-yl)ethyl]-1,4-diazepane-2,5-dione
CID 107851441
2-[2-(cyclohexen-1-yl)ethyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 107851410
1-[(3-methoxyoxolan-3-yl)methyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 104766533
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113182280
9-(2-methylsulfanylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64971532
5-(aminomethyl)-3-[2-(cyclohexen-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 82023084

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (CID 107851383) is 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NC(C)(C)C(=O)N1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is SGDRARCALKWMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)14-15(20)18-17(3,4)16(21)19(14)11-10-13-8-6-5-7-9-13/h8,12,14H,5-7,9-11H2,1-4H3,(H,18,20).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107851383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).