1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione

C16H18N2O2 — CID 82766288

IUPAC1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione
SMILESCc1ccc(C#CCN)c(N2C(=O)CC(C)CC2=O)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-6-13(4-3-7-17)14(8-11)18-15(19)9-12(2)10-16(18)20/h5-6,8,12H,7,9-10,17H2,1-2H3
InChIKeyIZAJLWXTZDQGGB-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.59
Rot. Bonds1

About 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione

1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione (PubChem CID 82766288) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione
PubChem CID82766288
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione
SMILESCc1ccc(C#CCN)c(N2C(=O)CC(C)CC2=O)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-6-13(4-3-7-17)14(8-11)18-15(19)9-12(2)10-16(18)20/h5-6,8,12H,7,9-10,17H2,1-2H3
InChIKeyIZAJLWXTZDQGGB-UHFFFAOYSA-N
XLogP1.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione
CID 62964153
2-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]isoindole-1,3-dione
CID 130771607
1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]pyrrolidin-2-one
CID 82766601
[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 81111985
1-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-3-methylpyrrolidine-2,5-dione
CID 61036688
1-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 103500871
[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959905
1-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione
CID 62966319
1-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylpyrrolidine-2,5-dione
CID 107578132
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 82750737
1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione
CID 62933100
1-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrolidine-2,5-dione
CID 60813664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione (CID 82766288) is 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione is Cc1ccc(C#CCN)c(N2C(=O)CC(C)CC2=O)c1.
What is the InChIKey of 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione?
The InChIKey is IZAJLWXTZDQGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-5-6-13(4-3-7-17)14(8-11)18-15(19)9-12(2)10-16(18)20/h5-6,8,12H,7,9-10,17H2,1-2H3.
What are the key properties of 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione?
1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione has a molecular weight of 270.33 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 82766288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).