3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione

C17H28N2O2 — CID 64972712

IUPAC3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C)C(=O)N1C1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H28N2O2/c1-10-12(20)18-16(4,5)14(21)19(10)13-15(2,3)11-7-8-17(13,6)9-11/h10-11,13H,7-9H2,1-6H3,(H,18,20)
InChIKeyGSKXXPVQLPATRJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.33
Rot. Bonds1

About 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione

3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione (PubChem CID 64972712) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione
PubChem CID64972712
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione
SMILESCC1C(=O)NC(C)(C)C(=O)N1C1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H28N2O2/c1-10-12(20)18-16(4,5)14(21)19(10)13-15(2,3)11-7-8-17(13,6)9-11/h10-11,13H,7-9H2,1-6H3,(H,18,20)
InChIKeyGSKXXPVQLPATRJ-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione?
The IUPAC name of 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione (CID 64972712) is 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione is CC1C(=O)NC(C)(C)C(=O)N1C1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione?
The InChIKey is GSKXXPVQLPATRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-10-12(20)18-16(4,5)14(21)19(10)13-15(2,3)11-7-8-17(13,6)9-11/h10-11,13H,7-9H2,1-6H3,(H,18,20).
What are the key properties of 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione?
3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione is sourced from PubChem (CID 64972712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).