N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide

C17H25FN2O — CID 112542322

IUPACN-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC1CC(NC(=O)C(C)(C)C)CN(c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O/c1-12-9-14(19-16(21)17(2,3)4)11-20(10-12)15-7-5-13(18)6-8-15/h5-8,12,14H,9-11H2,1-4H3,(H,19,21)
InChIKeyWIYQTNYGESPSGY-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.20
Rot. Bonds2

About N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide

N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542322) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542322
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC1CC(NC(=O)C(C)(C)C)CN(c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O/c1-12-9-14(19-16(21)17(2,3)4)11-20(10-12)15-7-5-13(18)6-8-15/h5-8,12,14H,9-11H2,1-4H3,(H,19,21)
InChIKeyWIYQTNYGESPSGY-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide (CID 112542322) is N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide is CC1CC(NC(=O)C(C)(C)C)CN(c2ccc(F)cc2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is WIYQTNYGESPSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12-9-14(19-16(21)17(2,3)4)11-20(10-12)15-7-5-13(18)6-8-15/h5-8,12,14H,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).