6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione

C17H30N2O2 — CID 82924551

IUPAC6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C(C)(C)C)N(C2CCCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-16(2,3)13-14(20)18-17(4,5)15(21)19(13)12-10-8-6-7-9-11-12/h12-13H,6-11H2,1-5H3,(H,18,20)
InChIKeyOTYXURIRWGPGOM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.86
Rot. Bonds1

About 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione

6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 82924551) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID82924551
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C(C)(C)C)N(C2CCCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-16(2,3)13-14(20)18-17(4,5)15(21)19(13)12-10-8-6-7-9-11-12/h12-13H,6-11H2,1-5H3,(H,18,20)
InChIKeyOTYXURIRWGPGOM-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione (CID 82924551) is 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)C(C(C)(C)C)N(C2CCCCCC2)C1=O.
What is the InChIKey of 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is OTYXURIRWGPGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(2,3)13-14(20)18-17(4,5)15(21)19(13)12-10-8-6-7-9-11-12/h12-13H,6-11H2,1-5H3,(H,18,20).
What are the key properties of 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione?
6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 82924551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).