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

C26H38N2O4 — CID 3159341

IUPAC1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCN(C(=O)C45CCC(C)(C(=O)C4)C5(C)C)CC3)(CC1=O)C2(C)C
InChIInChI=1S/C26H38N2O4/c1-21(2)23(5)7-9-25(21,15-17(23)29)19(31)27-11-13-28(14-12-27)20(32)26-10-8-24(6,18(30)16-26)22(26,3)4/h7-16H2,1-6H3
InChIKeyGLMNDUPBRDSSHW-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.23
Rot. Bonds2

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

1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one (PubChem CID 3159341) has the molecular formula C26H38N2O4 and a molecular weight of 442.60 g/mol. Its IUPAC name is 1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one
PubChem CID3159341
Molecular FormulaC26H38N2O4
Molecular Weight442.60 g/mol
Exact Mass442.28
IUPAC Name1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(C(=O)N3CCN(C(=O)C45CCC(C)(C(=O)C4)C5(C)C)CC3)(CC1=O)C2(C)C
InChIInChI=1S/C26H38N2O4/c1-21(2)23(5)7-9-25(21,15-17(23)29)19(31)27-11-13-28(14-12-27)20(32)26-10-8-24(6,18(30)16-26)22(26,3)4/h7-16H2,1-6H3
InChIKeyGLMNDUPBRDSSHW-UHFFFAOYSA-N
XLogP3.23
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one (CID 3159341) is 1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one is CC12CCC(C(=O)N3CCN(C(=O)C45CCC(C)(C(=O)C4)C5(C)C)CC3)(CC1=O)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one?
The InChIKey is GLMNDUPBRDSSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O4/c1-21(2)23(5)7-9-25(21,15-17(23)29)19(31)27-11-13-28(14-12-27)20(32)26-10-8-24(6,18(30)16-26)22(26,3)4/h7-16H2,1-6H3.
What are the key properties of 1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one has a molecular weight of 442.60 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-4-[4-(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 3159341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).