4-(3-aminocyclohexyl)piperazine-2,6-dione

C10H17N3O2 — CID 79469336

IUPAC4-(3-aminocyclohexyl)piperazine-2,6-dione
SMILESNC1CCCC(N2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C10H17N3O2/c11-7-2-1-3-8(4-7)13-5-9(14)12-10(15)6-13/h7-8H,1-6,11H2,(H,12,14,15)
InChIKeySRPVJNMQWBGQAA-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.79
Rot. Bonds1

About 4-(3-aminocyclohexyl)piperazine-2,6-dione

4-(3-aminocyclohexyl)piperazine-2,6-dione (PubChem CID 79469336) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)piperazine-2,6-dione
PubChem CID79469336
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(3-aminocyclohexyl)piperazine-2,6-dione
SMILESNC1CCCC(N2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C10H17N3O2/c11-7-2-1-3-8(4-7)13-5-9(14)12-10(15)6-13/h7-8H,1-6,11H2,(H,12,14,15)
InChIKeySRPVJNMQWBGQAA-UHFFFAOYSA-N
XLogP-0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-aminocyclohexyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-aminocyclohexyl)piperazine-2,6-dione (CID 79469336) is 4-(3-aminocyclohexyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-aminocyclohexyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-aminocyclohexyl)piperazine-2,6-dione is NC1CCCC(N2CC(=O)NC(=O)C2)C1.
What is the InChIKey of 4-(3-aminocyclohexyl)piperazine-2,6-dione?
The InChIKey is SRPVJNMQWBGQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-7-2-1-3-8(4-7)13-5-9(14)12-10(15)6-13/h7-8H,1-6,11H2,(H,12,14,15).
What are the key properties of 4-(3-aminocyclohexyl)piperazine-2,6-dione?
4-(3-aminocyclohexyl)piperazine-2,6-dione has a molecular weight of 211.26 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexyl)piperazine-2,6-dione is sourced from PubChem (CID 79469336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).