4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione

C14H20N4O4 — CID 15077645

IUPAC4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
SMILESO=C1CN([C@@H]2CCCC[C@H]2N2CC(=O)NC(=O)C2)CC(=O)N1
InChIInChI=1S/C14H20N4O4/c19-11-5-17(6-12(20)15-11)9-3-1-2-4-10(9)18-7-13(21)16-14(22)8-18/h9-10H,1-8H2,(H,15,19,20)(H,16,21,22)/t9-,10-/m1/s1
InChIKeyNFOMSYBJOILKIS-NXEZZACHSA-N
MW308.34 g/mol
LogP-1.79
Rot. Bonds2

About 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione

4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione (PubChem CID 15077645) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
PubChem CID15077645
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione
SMILESO=C1CN([C@@H]2CCCC[C@H]2N2CC(=O)NC(=O)C2)CC(=O)N1
InChIInChI=1S/C14H20N4O4/c19-11-5-17(6-12(20)15-11)9-3-1-2-4-10(9)18-7-13(21)16-14(22)8-18/h9-10H,1-8H2,(H,15,19,20)(H,16,21,22)/t9-,10-/m1/s1
InChIKeyNFOMSYBJOILKIS-NXEZZACHSA-N
XLogP-1.79
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione?
The IUPAC name of 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione (CID 15077645) is 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione is O=C1CN([C@@H]2CCCC[C@H]2N2CC(=O)NC(=O)C2)CC(=O)N1.
What is the InChIKey of 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione?
The InChIKey is NFOMSYBJOILKIS-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20N4O4/c19-11-5-17(6-12(20)15-11)9-3-1-2-4-10(9)18-7-13(21)16-14(22)8-18/h9-10H,1-8H2,(H,15,19,20)(H,16,21,22)/t9-,10-/m1/s1.
What are the key properties of 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione?
4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione has a molecular weight of 308.34 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(3,5-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,6-dione is sourced from PubChem (CID 15077645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).