(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione

C15H20N2O2 — CID 11414299

IUPAC(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione
SMILESCCN1C[C@@H](C)N([C@H](C)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C15H20N2O2/c1-4-16-10-11(2)17(15(19)14(16)18)12(3)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3/t11-,12-/m1/s1
InChIKeyQZGAYXKKJPCOJE-VXGBXAGGSA-N
MW260.34 g/mol
LogP1.83
Rot. Bonds3

About (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione

(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione (PubChem CID 11414299) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione.

Molecular Properties

Compound Name(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione
PubChem CID11414299
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione
SMILESCCN1C[C@@H](C)N([C@H](C)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C15H20N2O2/c1-4-16-10-11(2)17(15(19)14(16)18)12(3)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3/t11-,12-/m1/s1
InChIKeyQZGAYXKKJPCOJE-VXGBXAGGSA-N
XLogP1.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione with MolForge

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Related Compounds

(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
CID 11402324
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
5-ethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
CID 150985688
1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
CID 60886984
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
N-(1-ethyl-5-oxopyrrolidin-3-yl)-2,2-diphenylacetamide
CID 136546634
(2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline
CID 102479708
(3R)-3-hydroxy-2-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 7316341

Frequently Asked Questions

What is the IUPAC name of (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione?
The IUPAC name of (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione (CID 11414299) is (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione.
What is the SMILES notation for (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione?
The canonical SMILES for (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione is CCN1C[C@@H](C)N([C@H](C)c2ccccc2)C(=O)C1=O.
What is the InChIKey of (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione?
The InChIKey is QZGAYXKKJPCOJE-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-16-10-11(2)17(15(19)14(16)18)12(3)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione?
(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione has a molecular weight of 260.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione is sourced from PubChem (CID 11414299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).