1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione

C15H15NO3 — CID 60813326

IUPAC1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione
SMILESCc1cc(N2C(=O)CCCC2=O)ccc1C#CCO
InChIInChI=1S/C15H15NO3/c1-11-10-13(8-7-12(11)4-3-9-17)16-14(18)5-2-6-15(16)19/h7-8,10,17H,2,5-6,9H2,1H3
InChIKeyBQXOZJWBJZVTLQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.38
Rot. Bonds1

About 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione

1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione (PubChem CID 60813326) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione
PubChem CID60813326
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione
SMILESCc1cc(N2C(=O)CCCC2=O)ccc1C#CCO
InChIInChI=1S/C15H15NO3/c1-11-10-13(8-7-12(11)4-3-9-17)16-14(18)5-2-6-15(16)19/h7-8,10,17H,2,5-6,9H2,1H3
InChIKeyBQXOZJWBJZVTLQ-UHFFFAOYSA-N
XLogP1.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.38
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-(4-hydroxybut-1-ynyl)-3-methylphenyl]azepane-2,7-dione
CID 60813007
1-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]pyrrolidine-2,5-dione
CID 54922840
1-[3-(3-hydroxyprop-1-ynyl)phenyl]azepane-2,7-dione
CID 60815007
1-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrolidine-2,5-dione
CID 60813664
1-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65297451
1-[2-(3-hydroxyprop-1-ynyl)phenyl]azepane-2,7-dione
CID 60813661
1-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]azepan-2-one
CID 82766141
1-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolidin-2-one
CID 81275521
3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-yn-1-ol
CID 169484952
1-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 103500871
2-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]isoindole-1,3-dione
CID 130674400
3-[2-methyl-4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60973951

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione (CID 60813326) is 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione is Cc1cc(N2C(=O)CCCC2=O)ccc1C#CCO.
What is the InChIKey of 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione?
The InChIKey is BQXOZJWBJZVTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-10-13(8-7-12(11)4-3-9-17)16-14(18)5-2-6-15(16)19/h7-8,10,17H,2,5-6,9H2,1H3.
What are the key properties of 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione?
1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione has a molecular weight of 257.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]piperidine-2,6-dione is sourced from PubChem (CID 60813326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).