6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione

C17H24N2O2 — CID 64957677

IUPAC6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-9-14-17(21)19(15(5-2)16(20)18-14)12(3)13-10-7-6-8-11-13/h6-8,10-12,14-15H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyRVTOXYVGJYOTDU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.65
Rot. Bonds5

About 6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione

6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione (PubChem CID 64957677) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
PubChem CID64957677
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C(C)c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-9-14-17(21)19(15(5-2)16(20)18-14)12(3)13-10-7-6-8-11-13/h6-8,10-12,14-15H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyRVTOXYVGJYOTDU-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione (CID 64957677) is 6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(C(C)c2ccccc2)C1=O.
What is the InChIKey of 6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is RVTOXYVGJYOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-9-14-17(21)19(15(5-2)16(20)18-14)12(3)13-10-7-6-8-11-13/h6-8,10-12,14-15H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of 6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione?
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64957677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).