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

C16H18N2O2 — CID 62964153

IUPAC1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione
SMILESCc1cc(C#CCN)ccc1N1C(=O)CC(C)CC1=O
InChIInChI=1S/C16H18N2O2/c1-11-8-15(19)18(16(20)9-11)14-6-5-13(4-3-7-17)10-12(14)2/h5-6,10-11H,7-9,17H2,1-2H3
InChIKeyYEKWACGGLFHXCF-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.59
Rot. Bonds1

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

1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione (PubChem CID 62964153) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione
PubChem CID62964153
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione
SMILESCc1cc(C#CCN)ccc1N1C(=O)CC(C)CC1=O
InChIInChI=1S/C16H18N2O2/c1-11-8-15(19)18(16(20)9-11)14-6-5-13(4-3-7-17)10-12(14)2/h5-6,10-11H,7-9,17H2,1-2H3
InChIKeyYEKWACGGLFHXCF-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

4-Methyl-1-[4-(propan-2-yl)phenyl]piperidine-2,6-dione
CID 4001498
1-(2-Ethyl-6-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 2732560
Piperidine-3-carboxylic acid (2,6-dimethyl-phenyl)-amide
CID 652497
1-[4-(dimethylamino)benzyl]-N,N-diethyl-nipecotamide
CID 2837886
4-Methyl-1-(4-methylphenyl)piperidine-2,6-dione
CID 2732323
1-(2,6-Dimethylphenyl)-3,3-dimethylpiperidine-2,6-dione
CID 2732374
1-[4-(Aminomethyl)phenyl]piperidin-2-one
CID 4712025
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(2,4-dimethyl-phenyl)-amide]
CID 3216082
4-Tert-butyl-1-(2-methylphenyl)piperidine-2,6-dione
CID 42628278
2-[(1-Acetylpiperidin-4-yl)methylamino]-5-hex-1-ynylbenzamide
CID 166625907
N-[1-[4-[2-[4-(2-oxopiperidin-1-yl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635232
4-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-methyl-, hydrochloride (1:1)
CID 54135

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione (CID 62964153) is 1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione is Cc1cc(C#CCN)ccc1N1C(=O)CC(C)CC1=O.
What is the InChIKey of 1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione?
The InChIKey is YEKWACGGLFHXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-15(19)18(16(20)9-11)14-6-5-13(4-3-7-17)10-12(14)2/h5-6,10-11H,7-9,17H2,1-2H3.
What are the key properties of 1-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione?
1-[4-(3-aminoprop-1-ynyl)-2-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-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 62964153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).