4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one

C24H34N2O6 — CID 2921454

IUPAC4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one
SMILESCC12CCC(C(=O)N3CCN(C(=O)C45CCC(C)(C(=O)O4)C5(C)C)CC3)(OC1=O)C2(C)C
InChIInChI=1S/C24H34N2O6/c1-19(2)21(5)7-9-23(19,31-17(21)29)15(27)25-11-13-26(14-12-25)16(28)24-10-8-22(6,18(30)32-24)20(24,3)4/h7-14H2,1-6H3
InChIKeyLHLRTIIKMVJLPU-UHFFFAOYSA-N
MW446.54 g/mol
LogP1.90
Rot. Bonds2

About 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one

4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one (PubChem CID 2921454) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one
PubChem CID2921454
Molecular FormulaC24H34N2O6
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Name4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one
SMILESCC12CCC(C(=O)N3CCN(C(=O)C45CCC(C)(C(=O)O4)C5(C)C)CC3)(OC1=O)C2(C)C
InChIInChI=1S/C24H34N2O6/c1-19(2)21(5)7-9-23(19,31-17(21)29)15(27)25-11-13-26(14-12-25)16(28)24-10-8-22(6,18(30)32-24)20(24,3)4/h7-14H2,1-6H3
InChIKeyLHLRTIIKMVJLPU-UHFFFAOYSA-N
XLogP1.90
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one?
The IUPAC name of 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one (CID 2921454) is 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one is CC12CCC(C(=O)N3CCN(C(=O)C45CCC(C)(C(=O)O4)C5(C)C)CC3)(OC1=O)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one?
The InChIKey is LHLRTIIKMVJLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-19(2)21(5)7-9-23(19,31-17(21)29)15(27)25-11-13-26(14-12-25)16(28)24-10-8-22(6,18(30)32-24)20(24,3)4/h7-14H2,1-6H3.
What are the key properties of 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one?
4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one has a molecular weight of 446.54 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-1-[4-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]-2-oxabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 2921454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).