1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid

C17H22FNO3 — CID 122117274

IUPAC1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCC(C(=O)N1CC(C)CC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-3-15(12-4-6-14(18)7-5-12)16(20)19-9-11(2)8-13(10-19)17(21)22/h4-7,11,13,15H,3,8-10H2,1-2H3,(H,21,22)
InChIKeyGOBXZKXYGZIZDJ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117274) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122117274
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCC(C(=O)N1CC(C)CC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-3-15(12-4-6-14(18)7-5-12)16(20)19-9-11(2)8-13(10-19)17(21)22/h4-7,11,13,15H,3,8-10H2,1-2H3,(H,21,22)
InChIKeyGOBXZKXYGZIZDJ-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119547
5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
1-[2,2-difluoro-2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119811
2-[2-(4-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120534059
1-[1-(2,5-difluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122890
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-[2-(2,5-difluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122118895
1-[3-(4-fluorophenyl)azepan-1-yl]-2-phenylbutan-1-one
CID 121130947
1-[4-(4-fluorophenoxy)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118917
1-[2-(4-fluorophenoxy)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122962
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid (CID 122117274) is 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid is CCC(C(=O)N1CC(C)CC(C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is GOBXZKXYGZIZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-3-15(12-4-6-14(18)7-5-12)16(20)19-9-11(2)8-13(10-19)17(21)22/h4-7,11,13,15H,3,8-10H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 307.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).