4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione

C15H18FNO2 — CID 79320945

IUPAC4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1c1ccc(F)c(C)c1
InChIInChI=1S/C15H18FNO2/c1-3-4-11-12(8-14(18)17-15(11)19)10-5-6-13(16)9(2)7-10/h5-7,11-12H,3-4,8H2,1-2H3,(H,17,18,19)
InChIKeyBNODSMNKIUTWNJ-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.68
Rot. Bonds3

About 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione

4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione (PubChem CID 79320945) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione
PubChem CID79320945
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1c1ccc(F)c(C)c1
InChIInChI=1S/C15H18FNO2/c1-3-4-11-12(8-14(18)17-15(11)19)10-5-6-13(16)9(2)7-10/h5-7,11-12H,3-4,8H2,1-2H3,(H,17,18,19)
InChIKeyBNODSMNKIUTWNJ-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione (CID 79320945) is 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione is CCCC1C(=O)NC(=O)CC1c1ccc(F)c(C)c1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione?
The InChIKey is BNODSMNKIUTWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-4-11-12(8-14(18)17-15(11)19)10-5-6-13(16)9(2)7-10/h5-7,11-12H,3-4,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione?
4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione has a molecular weight of 263.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-3-propylpiperidine-2,6-dione is sourced from PubChem (CID 79320945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).