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

C19H29N3O3 — CID 165426950

IUPAC(3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(CCCN(C)C)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C19H29N3O3/c1-20(2)10-7-11-22-17(14-16-8-5-4-6-9-16)19(24)21(12-13-25-3)15-18(22)23/h4-6,8-9,17H,7,10-15H2,1-3H3/t17-/m1/s1
InChIKeyCUVJTMIOFYKKKJ-QGZVFWFLSA-N
MW347.46 g/mol
LogP0.87
Rot. Bonds9

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

(3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 165426950) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID165426950
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(CCCN(C)C)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C19H29N3O3/c1-20(2)10-7-11-22-17(14-16-8-5-4-6-9-16)19(24)21(12-13-25-3)15-18(22)23/h4-6,8-9,17H,7,10-15H2,1-3H3/t17-/m1/s1
InChIKeyCUVJTMIOFYKKKJ-QGZVFWFLSA-N
XLogP0.87
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione (CID 165426950) is (3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione is COCCN1CC(=O)N(CCCN(C)C)[C@H](Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is CUVJTMIOFYKKKJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-20(2)10-7-11-22-17(14-16-8-5-4-6-9-16)19(24)21(12-13-25-3)15-18(22)23/h4-6,8-9,17H,7,10-15H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione?
(3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 347.46 g/mol, XLogP of 0.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-4-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 165426950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).