2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid

C17H22FNO3 — CID 119178715

IUPAC2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
SMILESCC(CC(=O)N1CCC(CC(=O)O)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-12(14-2-4-15(18)5-3-14)10-16(20)19-8-6-13(7-9-19)11-17(21)22/h2-5,12-13H,6-11H2,1H3,(H,21,22)
InChIKeyGYIXNHWEGMBZCK-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid

2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid (PubChem CID 119178715) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
PubChem CID119178715
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
SMILESCC(CC(=O)N1CCC(CC(=O)O)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-12(14-2-4-15(18)5-3-14)10-16(20)19-8-6-13(7-9-19)11-17(21)22/h2-5,12-13H,6-11H2,1H3,(H,21,22)
InChIKeyGYIXNHWEGMBZCK-UHFFFAOYSA-N
XLogP3.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[3-(4-fluorophenyl)butanoyl]piperazin-1-yl]butanoic acid
CID 138038194
tert-butyl N-[[1-[(3R)-3-(4-fluorophenyl)butanoyl]piperidin-4-yl]methyl]carbamate
CID 52511834
(3R)-3-(4-fluorophenyl)-1-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347286
(3R)-3-(4-fluorophenyl)-1-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347284
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55919453
1-(4-benzoylpiperazin-1-yl)-3-(4-fluorophenyl)butan-1-one
CID 110352133
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
CID 119645141
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
N-cyclopropyl-2-[4-[3-(4-fluorophenyl)butanoyl]piperazin-1-yl]-2-oxoacetamide
CID 55923503
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
CID 104502322
N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide
CID 110352147
3-(4-fluorophenyl)-1-(1,2,5-triazaspiro[2.3]hex-1-en-5-yl)butan-1-one
CID 139018033

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid (CID 119178715) is 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid is CC(CC(=O)N1CCC(CC(=O)O)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid?
The InChIKey is GYIXNHWEGMBZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-12(14-2-4-15(18)5-3-14)10-16(20)19-8-6-13(7-9-19)11-17(21)22/h2-5,12-13H,6-11H2,1H3,(H,21,22).
What are the key properties of 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid?
2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid has a molecular weight of 307.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).