1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione

C16H28N2O2 — CID 64969277

IUPAC1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(C(CC)C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-13-16(20)18(11(3)15(19)17-13)14(5-2)12-9-7-6-8-10-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyJYUVHMBOIFPQJK-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds4

About 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione

1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64969277) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64969277
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(C(CC)C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-13-16(20)18(11(3)15(19)17-13)14(5-2)12-9-7-6-8-10-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyJYUVHMBOIFPQJK-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958271
3-(1-cyclohexylpropyl)-5-methyl-2-propylimidazolidin-4-one
CID 83255425
1-(1-cyclohexylethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64969309
1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione
CID 64969313
3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64887376
6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948017
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
3-ethyl-6-methyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64958926

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione (CID 64969277) is 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(C(CC)C2CCCCC2)C1=O.
What is the InChIKey of 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is JYUVHMBOIFPQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-13-16(20)18(11(3)15(19)17-13)14(5-2)12-9-7-6-8-10-12/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione?
1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64969277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).