3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione

C20H22N2O3 — CID 171320911

IUPAC3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CN(C)C(=O)C2Cc2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-21-14-19(23)22(13-16-8-10-17(25-2)11-9-16)18(20(21)24)12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3
InChIKeyJAFPYAOXRAIOOG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.11
Rot. Bonds5

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

3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione (PubChem CID 171320911) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
PubChem CID171320911
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CN(C)C(=O)C2Cc2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-21-14-19(23)22(13-16-8-10-17(25-2)11-9-16)18(20(21)24)12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3
InChIKeyJAFPYAOXRAIOOG-UHFFFAOYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-benzyl-4-[(3-methoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165422175
(3S)-3-benzyl-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165427693
(3R,6S)-6-benzyl-1-[(4-methoxyphenyl)methyl]-3-(sulfanylmethyl)piperazine-2,5-dione
CID 10809178
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 165417368
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 165417477
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
(3S)-3-benzyl-4-[2-(2-ethoxyphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165422735
(3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione
CID 164690480
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 154994700
(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165423395

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione?
The IUPAC name of 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione (CID 171320911) is 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione?
The canonical SMILES for 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione is COc1ccc(CN2C(=O)CN(C)C(=O)C2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione?
The InChIKey is JAFPYAOXRAIOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21-14-19(23)22(13-16-8-10-17(25-2)11-9-16)18(20(21)24)12-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3.
What are the key properties of 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione?
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione has a molecular weight of 338.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 171320911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).