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

C22H26N2O4 — CID 165417368

IUPAC(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O4/c1-27-12-11-23-16-21(25)24(15-18-9-6-10-19(13-18)28-2)20(22(23)26)14-17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-16H2,1-2H3/t20-/m1/s1
InChIKeySFNKABNRBMRSKW-HXUWFJFHSA-N
MW382.46 g/mol
LogP2.12
Rot. Bonds8

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

(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione (PubChem CID 165417368) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
PubChem CID165417368
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C22H26N2O4/c1-27-12-11-23-16-21(25)24(15-18-9-6-10-19(13-18)28-2)20(22(23)26)14-17-7-4-3-5-8-17/h3-10,13,20H,11-12,14-16H2,1-2H3/t20-/m1/s1
InChIKeySFNKABNRBMRSKW-HXUWFJFHSA-N
XLogP2.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 164693913
(3R)-3-benzyl-4-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 164699341
(3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione
CID 165426950
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 165424506
(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione
CID 165420341
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(3R)-3-benzyl-1-(2-methoxyethyl)-4-(2-phenylmethoxyethyl)piperazine-2,5-dione;formic acid
CID 166598382
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione
CID 165426751
1-(2-methoxyethyl)-3-(3-methoxyphenyl)imidazolidine-2,4-dione
CID 79280992
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(6-methylpyridine-3-carbonyl)piperazin-2-one
CID 122600835
3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 103935477
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione (CID 165417368) is (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione is COCCN1CC(=O)N(Cc2cccc(OC)c2)[C@H](Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione?
The InChIKey is SFNKABNRBMRSKW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-12-11-23-16-21(25)24(15-18-9-6-10-19(13-18)28-2)20(22(23)26)14-17-7-4-3-5-8-17/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-methoxyphenyl)methyl]piperazine-2,5-dione?
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione has a molecular weight of 382.46 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 165417368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).