(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione

C22H26N2O3 — CID 164693913

IUPAC(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O3/c1-17-7-6-10-19(13-17)15-24-20(14-18-8-4-3-5-9-18)22(26)23(11-12-27-2)16-21(24)25/h3-10,13,20H,11-12,14-16H2,1-2H3/t20-/m1/s1
InChIKeyNXQSJHLKDKUAEP-HXUWFJFHSA-N
MW366.46 g/mol
LogP2.42
Rot. Bonds7

About (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione

(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 164693913) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID164693913
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O3/c1-17-7-6-10-19(13-17)15-24-20(14-18-8-4-3-5-9-18)22(26)23(11-12-27-2)16-21(24)25/h3-10,13,20H,11-12,14-16H2,1-2H3/t20-/m1/s1
InChIKeyNXQSJHLKDKUAEP-HXUWFJFHSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione (CID 164693913) is (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione is COCCN1CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is NXQSJHLKDKUAEP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-7-6-10-19(13-17)15-24-20(14-18-8-4-3-5-9-18)22(26)23(11-12-27-2)16-21(24)25/h3-10,13,20H,11-12,14-16H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione?
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 366.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 164693913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).