1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione

C15H21N3O2 — CID 79936916

IUPAC1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(NC)c2ccccc2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-3-17-10-15(20)18(11-14(17)19)9-13(16-2)12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3
InChIKeyFURACKDEUOIADJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.64
Rot. Bonds5

About 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione

1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione (PubChem CID 79936916) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
PubChem CID79936916
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
SMILESCCN1CC(=O)N(CC(NC)c2ccccc2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-3-17-10-15(20)18(11-14(17)19)9-13(16-2)12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3
InChIKeyFURACKDEUOIADJ-UHFFFAOYSA-N
XLogP0.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione?
The IUPAC name of 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione (CID 79936916) is 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione?
The canonical SMILES for 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione is CCN1CC(=O)N(CC(NC)c2ccccc2)CC1=O.
What is the InChIKey of 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione?
The InChIKey is FURACKDEUOIADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-17-10-15(20)18(11-14(17)19)9-13(16-2)12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione?
1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione is sourced from PubChem (CID 79936916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).