4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione

C13H16N2O4 — CID 63789962

IUPAC4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
SMILESCOc1ccc(CN2CC(=O)NC(=O)C2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-18-10-4-3-9(5-11(10)19-2)6-15-7-12(16)14-13(17)8-15/h3-5H,6-8H2,1-2H3,(H,14,16,17)
InChIKeyMIADPVOQOSHKDU-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.16
Rot. Bonds4

About 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione

4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione (PubChem CID 63789962) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
PubChem CID63789962
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
SMILESCOc1ccc(CN2CC(=O)NC(=O)C2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-18-10-4-3-9(5-11(10)19-2)6-15-7-12(16)14-13(17)8-15/h3-5H,6-8H2,1-2H3,(H,14,16,17)
InChIKeyMIADPVOQOSHKDU-UHFFFAOYSA-N
XLogP0.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 141173385
4-[[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]methyl]piperazine-2,6-dione
CID 66084624
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
4-[(3-amino-4-chlorophenyl)methyl]piperazine-2,6-dione
CID 66084854
4-[(3,4-dimethoxyphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 5110518
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871718
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
CID 66083020

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione (CID 63789962) is 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione is COc1ccc(CN2CC(=O)NC(=O)C2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione?
The InChIKey is MIADPVOQOSHKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-18-10-4-3-9(5-11(10)19-2)6-15-7-12(16)14-13(17)8-15/h3-5H,6-8H2,1-2H3,(H,14,16,17).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione?
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 63789962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).