4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione

C11H18N2O3 — CID 114762627

IUPAC4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C1CCC(O)CC1
InChIInChI=1S/C11H18N2O3/c1-7-11(16)12-10(15)6-13(7)8-2-4-9(14)5-3-8/h7-9,14H,2-6H2,1H3,(H,12,15,16)
InChIKeyJNLLHRDIXUCITM-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.36
Rot. Bonds1

About 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione

4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione (PubChem CID 114762627) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione
PubChem CID114762627
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C1CCC(O)CC1
InChIInChI=1S/C11H18N2O3/c1-7-11(16)12-10(15)6-13(7)8-2-4-9(14)5-3-8/h7-9,14H,2-6H2,1H3,(H,12,15,16)
InChIKeyJNLLHRDIXUCITM-UHFFFAOYSA-N
XLogP-0.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminocyclohexyl)-3-methylpiperazine-2,6-dione
CID 66062703
4-(3-aminocyclohexyl)-3-methylpiperazine-2,6-dione
CID 79469475
2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80997372
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate
CID 66061767
3-methyl-4-(oxolane-2-carbonyl)piperazine-2,6-dione
CID 66063083
3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 104856137
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
4-(1,1-dioxothian-4-yl)sulfonyl-3-methylpiperazine-2,6-dione
CID 66062767
4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione
CID 66063336

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione (CID 114762627) is 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C1CCC(O)CC1.
What is the InChIKey of 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione?
The InChIKey is JNLLHRDIXUCITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-11(16)12-10(15)6-13(7)8-2-4-9(14)5-3-8/h7-9,14H,2-6H2,1H3,(H,12,15,16).
What are the key properties of 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione?
4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione has a molecular weight of 226.28 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxycyclohexyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 114762627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).