3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione

C16H28N2O2 — CID 64970548

IUPAC3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCC(C)CCCN1CC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-12(2)7-6-10-18-11-14(19)17-15(16(18)20)13-8-4-3-5-9-13/h12-13,15H,3-11H2,1-2H3,(H,17,19)
InChIKeyBGBRKFMDJUOOHB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds5

About 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione

3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione (PubChem CID 64970548) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione
PubChem CID64970548
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione
SMILESCC(C)CCCN1CC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-12(2)7-6-10-18-11-14(19)17-15(16(18)20)13-8-4-3-5-9-13/h12-13,15H,3-11H2,1-2H3,(H,17,19)
InChIKeyBGBRKFMDJUOOHB-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
3-cyclohexyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963666
3-cyclopropyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64969970
3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione
CID 106172026
3-cyclohexyl-1-(3-methoxypropyl)-1,4-diazepane-2,5-dione
CID 64882470
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane-2,5-dione
CID 81110439
3-cyclohexyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881332
3-(4-methylpentyl)-5-propan-2-ylimidazolidin-4-one
CID 83257837
3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
CID 83160675
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586867

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione (CID 64970548) is 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione is CC(C)CCCN1CC(=O)NC(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione?
The InChIKey is BGBRKFMDJUOOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)7-6-10-18-11-14(19)17-15(16(18)20)13-8-4-3-5-9-13/h12-13,15H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione?
3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-methylpentyl)piperazine-2,5-dione is sourced from PubChem (CID 64970548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).