1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione

C14H14N2O3 — CID 146074791

IUPAC1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione
SMILESC#CCN1CCN(c2ccccc2OC)C(=O)C1=O
InChIInChI=1S/C14H14N2O3/c1-3-8-15-9-10-16(14(18)13(15)17)11-6-4-5-7-12(11)19-2/h1,4-7H,8-10H2,2H3
InChIKeyJRICOTBIFVJSTM-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.50
Rot. Bonds3

About 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione

1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione (PubChem CID 146074791) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione
PubChem CID146074791
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione
SMILESC#CCN1CCN(c2ccccc2OC)C(=O)C1=O
InChIInChI=1S/C14H14N2O3/c1-3-8-15-9-10-16(14(18)13(15)17)11-6-4-5-7-12(11)19-2/h1,4-7H,8-10H2,2H3
InChIKeyJRICOTBIFVJSTM-UHFFFAOYSA-N
XLogP0.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-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

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione
CID 146074768
1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione
CID 167998101
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 122715416
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide
CID 167997454
4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24719502
(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid
CID 129466790
carbon dioxide;1-(2-methoxyphenyl)-4-methylidenepiperidin-2-one
CID 158537394
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione?
The IUPAC name of 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione (CID 146074791) is 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione is C#CCN1CCN(c2ccccc2OC)C(=O)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione?
The InChIKey is JRICOTBIFVJSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-8-15-9-10-16(14(18)13(15)17)11-6-4-5-7-12(11)19-2/h1,4-7H,8-10H2,2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione?
1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione has a molecular weight of 258.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione is sourced from PubChem (CID 146074791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).