(6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione

C20H22N2O4 — CID 53305579

IUPAC(6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1ccc(C[C@@H]2C(=O)NCC(=O)N2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-16-7-3-14(4-8-16)11-18-20(24)21-12-19(23)22(18)13-15-5-9-17(26-2)10-6-15/h3-10,18H,11-13H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyFJWMDLJFYVKSCT-GOSISDBHSA-N
MW354.41 g/mol
LogP1.77
Rot. Bonds6

About (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione

(6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione (PubChem CID 53305579) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione
PubChem CID53305579
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1ccc(C[C@@H]2C(=O)NCC(=O)N2Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-16-7-3-14(4-8-16)11-18-20(24)21-12-19(23)22(18)13-15-5-9-17(26-2)10-6-15/h3-10,18H,11-13H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyFJWMDLJFYVKSCT-GOSISDBHSA-N
XLogP1.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione (CID 53305579) is (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione is COc1ccc(C[C@@H]2C(=O)NCC(=O)N2Cc2ccc(OC)cc2)cc1.
What is the InChIKey of (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione?
The InChIKey is FJWMDLJFYVKSCT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-16-7-3-14(4-8-16)11-18-20(24)21-12-19(23)22(18)13-15-5-9-17(26-2)10-6-15/h3-10,18H,11-13H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione?
(6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione has a molecular weight of 354.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,6-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 53305579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).