2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid

C23H26FNO4 — CID 69153756

IUPAC2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid
SMILESO=C(CCCN1CCCC(COc2ccccc2C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C23H26FNO4/c24-19-11-9-18(10-12-19)21(26)7-4-14-25-13-3-5-17(15-25)16-29-22-8-2-1-6-20(22)23(27)28/h1-2,6,8-12,17H,3-5,7,13-16H2,(H,27,28)
InChIKeyYJFFAYUSXGUYSS-UHFFFAOYSA-N
MW399.46 g/mol
LogP4.28
Rot. Bonds9

About 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid

2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid (PubChem CID 69153756) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid
PubChem CID69153756
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid
SMILESO=C(CCCN1CCCC(COc2ccccc2C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C23H26FNO4/c24-19-11-9-18(10-12-19)21(26)7-4-14-25-13-3-5-17(15-25)16-29-22-8-2-1-6-20(22)23(27)28/h1-2,6,8-12,17H,3-5,7,13-16H2,(H,27,28)
InChIKeyYJFFAYUSXGUYSS-UHFFFAOYSA-N
XLogP4.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid with MolForge

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Related Compounds

1-(4-fluorophenyl)-4-[3-[(2-methylquinolin-8-yl)oxymethyl]piperidin-1-yl]butan-1-one
CID 68892891
1-(4-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 64597984
2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methyl]benzenesulfonic acid
CID 87613951
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one;hydron;dichloride
CID 91986243
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-phenylbutan-1-one
CID 63151034
4-[4-(benzenesulfonyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 11058213
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide
CID 91913506

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid?
The IUPAC name of 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid (CID 69153756) is 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid.
What is the SMILES notation for 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid?
The canonical SMILES for 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid is O=C(CCCN1CCCC(COc2ccccc2C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid?
The InChIKey is YJFFAYUSXGUYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4/c24-19-11-9-18(10-12-19)21(26)7-4-14-25-13-3-5-17(15-25)16-29-22-8-2-1-6-20(22)23(27)28/h1-2,6,8-12,17H,3-5,7,13-16H2,(H,27,28).
What are the key properties of 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid?
2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid has a molecular weight of 399.46 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methoxy]benzoic acid is sourced from PubChem (CID 69153756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).