4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione

C14H23N3O3 — CID 102628989

IUPAC4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione
SMILESCC1C(N)CCC(C(=O)N2CC(=O)NC(=O)C2)C1(C)C
InChIInChI=1S/C14H23N3O3/c1-8-10(15)5-4-9(14(8,2)3)13(20)17-6-11(18)16-12(19)7-17/h8-10H,4-7,15H2,1-3H3,(H,16,18,19)
InChIKeyZKRPNQHCPUXTMQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.13
Rot. Bonds1

About 4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione

4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione (PubChem CID 102628989) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione
PubChem CID102628989
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione
SMILESCC1C(N)CCC(C(=O)N2CC(=O)NC(=O)C2)C1(C)C
InChIInChI=1S/C14H23N3O3/c1-8-10(15)5-4-9(14(8,2)3)13(20)17-6-11(18)16-12(19)7-17/h8-10H,4-7,15H2,1-3H3,(H,16,18,19)
InChIKeyZKRPNQHCPUXTMQ-UHFFFAOYSA-N
XLogP-0.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.13
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-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione (CID 102628989) is 4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione is CC1C(N)CCC(C(=O)N2CC(=O)NC(=O)C2)C1(C)C.
What is the InChIKey of 4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione?
The InChIKey is ZKRPNQHCPUXTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8-10(15)5-4-9(14(8,2)3)13(20)17-6-11(18)16-12(19)7-17/h8-10H,4-7,15H2,1-3H3,(H,16,18,19).
What are the key properties of 4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione?
4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione has a molecular weight of 281.36 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)piperazine-2,6-dione is sourced from PubChem (CID 102628989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).