3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione

C23H29N3O3 — CID 3213141

IUPAC3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(c2ccc(C)cc2C)C(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C23H29N3O3/c1-16-6-11-20(17(2)14-16)26-21(27)15-25(12-13-29-5)23(28)22(26)18-7-9-19(10-8-18)24(3)4/h6-11,14,22H,12-13,15H2,1-5H3
InChIKeyDUPOPGHPZBSFMN-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.93
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione

3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 3213141) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID3213141
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(c2ccc(C)cc2C)C(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C23H29N3O3/c1-16-6-11-20(17(2)14-16)26-21(27)15-25(12-13-29-5)23(28)22(26)18-7-9-19(10-8-18)24(3)4/h6-11,14,22H,12-13,15H2,1-5H3
InChIKeyDUPOPGHPZBSFMN-UHFFFAOYSA-N
XLogP2.93
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione (CID 3213141) is 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione is COCCN1CC(=O)N(c2ccc(C)cc2C)C(c2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is DUPOPGHPZBSFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-6-11-20(17(2)14-16)26-21(27)15-25(12-13-29-5)23(28)22(26)18-7-9-19(10-8-18)24(3)4/h6-11,14,22H,12-13,15H2,1-5H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione?
3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 395.50 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 3213141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).