1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione

C17H30N2O2 — CID 82924165

IUPAC1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(C2CCCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-10-14-15(20)19(13-11-8-6-7-9-12-13)17(3,5-2)16(21)18-14/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyVGFZISSHLZFQIS-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.01
Rot. Bonds4

About 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione

1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 82924165) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID82924165
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(C2CCCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-10-14-15(20)19(13-11-8-6-7-9-12-13)17(3,5-2)16(21)18-14/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyVGFZISSHLZFQIS-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione (CID 82924165) is 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(CC)N(C2CCCCCC2)C1=O.
What is the InChIKey of 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is VGFZISSHLZFQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-10-14-15(20)19(13-11-8-6-7-9-12-13)17(3,5-2)16(21)18-14/h13-14H,4-12H2,1-3H3,(H,18,21).
What are the key properties of 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione?
1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 82924165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).