2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid

C20H20FNO4 — CID 136552733

IUPAC2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCC(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H20FNO4/c21-18-7-2-1-6-17(18)14-8-10-22(11-9-14)20(25)15-4-3-5-16(12-15)26-13-19(23)24/h1-7,12,14H,8-11,13H2,(H,23,24)
InChIKeyPMWPBUQTYAEZFD-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.31
Rot. Bonds5

About 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid

2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 136552733) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
PubChem CID136552733
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N2CCC(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H20FNO4/c21-18-7-2-1-6-17(18)14-8-10-22(11-9-14)20(25)15-4-3-5-16(12-15)26-13-19(23)24/h1-7,12,14H,8-11,13H2,(H,23,24)
InChIKeyPMWPBUQTYAEZFD-UHFFFAOYSA-N
XLogP3.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
2-[3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 119182165
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 45207852
2-[3-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119186986
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
4-[4-(2-fluorophenyl)piperidin-1-yl]-4-oxobutanoic acid
CID 94701076
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid (CID 136552733) is 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)N2CCC(c3ccccc3F)CC2)c1.
What is the InChIKey of 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is PMWPBUQTYAEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c21-18-7-2-1-6-17(18)14-8-10-22(11-9-14)20(25)15-4-3-5-16(12-15)26-13-19(23)24/h1-7,12,14H,8-11,13H2,(H,23,24).
What are the key properties of 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid?
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 357.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 136552733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).