(3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione

C16H22N2O3 — CID 164699341

IUPAC(3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCCN1C(=O)CN(CCOC)C(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-18-14(11-13-7-5-4-6-8-13)16(20)17(9-10-21-2)12-15(18)19/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1
InChIKeyCIXYQFIPAOXYON-CQSZACIVSA-N
MW290.36 g/mol
LogP0.93
Rot. Bonds6

About (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione

(3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 164699341) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID164699341
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCCN1C(=O)CN(CCOC)C(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-18-14(11-13-7-5-4-6-8-13)16(20)17(9-10-21-2)12-15(18)19/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1
InChIKeyCIXYQFIPAOXYON-CQSZACIVSA-N
XLogP0.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione (CID 164699341) is (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione is CCN1C(=O)CN(CCOC)C(=O)[C@H]1Cc1ccccc1.
What is the InChIKey of (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is CIXYQFIPAOXYON-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-18-14(11-13-7-5-4-6-8-13)16(20)17(9-10-21-2)12-15(18)19/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione?
(3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 164699341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).