(3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione

C19H20N2O3 — CID 155546623

IUPAC(3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
SMILESC[C@H]1NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O
InChIInChI=1S/C19H20N2O3/c1-13-18(22)21-17(19(23)20-13)11-14-7-9-16(10-8-14)24-12-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t13-,17-/m1/s1
InChIKeyGKLJAAFACDWDED-CXAGYDPISA-N
MW324.38 g/mol
LogP1.81
Rot. Bonds5

About (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione

(3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione (PubChem CID 155546623) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
PubChem CID155546623
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
SMILESC[C@H]1NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O
InChIInChI=1S/C19H20N2O3/c1-13-18(22)21-17(19(23)20-13)11-14-7-9-16(10-8-14)24-12-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t13-,17-/m1/s1
InChIKeyGKLJAAFACDWDED-CXAGYDPISA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione (CID 155546623) is (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione is C[C@H]1NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O.
What is the InChIKey of (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione?
The InChIKey is GKLJAAFACDWDED-CXAGYDPISA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-18(22)21-17(19(23)20-13)11-14-7-9-16(10-8-14)24-12-15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t13-,17-/m1/s1.
What are the key properties of (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione?
(3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-methyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 155546623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).