3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione

C17H28N2O2 — CID 64971924

IUPAC3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione
SMILESCCC(CC1CC1)N1CC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C17H28N2O2/c1-2-14(10-12-8-9-12)19-11-15(20)18-16(17(19)21)13-6-4-3-5-7-13/h12-14,16H,2-11H2,1H3,(H,18,20)
InChIKeyXIJCCICYYMDMMN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds5

About 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione

3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione (PubChem CID 64971924) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione
PubChem CID64971924
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione
SMILESCCC(CC1CC1)N1CC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C17H28N2O2/c1-2-14(10-12-8-9-12)19-11-15(20)18-16(17(19)21)13-6-4-3-5-7-13/h12-14,16H,2-11H2,1H3,(H,18,20)
InChIKeyXIJCCICYYMDMMN-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
1-(1-cyclopropylbutan-2-yl)imidazolidine-2,4-dione
CID 79777087
1-but-3-yn-2-yl-3-cyclohexylpiperazine-2,5-dione
CID 114420556
3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958271
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963749
3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959665
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 64957202
3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970548
3-cyclohexyl-1-(cyclopropylmethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883637
3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
CID 64972991

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione (CID 64971924) is 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione is CCC(CC1CC1)N1CC(=O)NC(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione?
The InChIKey is XIJCCICYYMDMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-14(10-12-8-9-12)19-11-15(20)18-16(17(19)21)13-6-4-3-5-7-13/h12-14,16H,2-11H2,1H3,(H,18,20).
What are the key properties of 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione?
3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64971924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).