6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione

C17H24N2O2 — CID 64968919

IUPAC6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1C(CC)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-5-13(12-10-8-7-9-11-12)19-14(6-2)15(20)18-17(3,4)16(19)21/h7-11,13-14H,5-6H2,1-4H3,(H,18,20)
InChIKeyXXXCVDYBBDPRIM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.65
Rot. Bonds4

About 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione

6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione (PubChem CID 64968919) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione
PubChem CID64968919
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1C(CC)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-5-13(12-10-8-7-9-11-12)19-14(6-2)15(20)18-17(3,4)16(19)21/h7-11,13-14H,5-6H2,1-4H3,(H,18,20)
InChIKeyXXXCVDYBBDPRIM-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione (CID 64968919) is 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1C(CC)c1ccccc1.
What is the InChIKey of 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione?
The InChIKey is XXXCVDYBBDPRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-13(12-10-8-7-9-11-12)19-14(6-2)15(20)18-17(3,4)16(19)21/h7-11,13-14H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione?
6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64968919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).