2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride

C15H17ClFN3O3 — CID 119921304

IUPAC2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCCC(c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C15H16FN3O3.ClH/c16-12-5-1-3-10(7-12)14-17-15(22-18-14)11-4-2-6-19(8-11)9-13(20)21;/h1,3,5,7,11H,2,4,6,8-9H2,(H,20,21);1H
InChIKeyFFQJLSLFCYQBPP-UHFFFAOYSA-N
MW341.77 g/mol
LogP2.56
Rot. Bonds4

About 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride

2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride (PubChem CID 119921304) has the molecular formula C15H17ClFN3O3 and a molecular weight of 341.77 g/mol. Its IUPAC name is 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
PubChem CID119921304
Molecular FormulaC15H17ClFN3O3
Molecular Weight341.77 g/mol
Exact Mass341.09
IUPAC Name2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCCC(c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C15H16FN3O3.ClH/c16-12-5-1-3-10(7-12)14-17-15(22-18-14)11-4-2-6-19(8-11)9-13(20)21;/h1,3,5,7,11H,2,4,6,8-9H2,(H,20,21);1H
InChIKeyFFQJLSLFCYQBPP-UHFFFAOYSA-N
XLogP2.56
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 51105643
2-ethyl-1-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 52839769
1-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 95161118
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 56526377
N-(4-chlorophenyl)-3-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526395
tert-butyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618671
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526384
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 97082956
4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile
CID 133457282

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride (CID 119921304) is 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride is Cl.O=C(O)CN1CCCC(c2nc(-c3cccc(F)c3)no2)C1.
What is the InChIKey of 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride?
The InChIKey is FFQJLSLFCYQBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3.ClH/c16-12-5-1-3-10(7-12)14-17-15(22-18-14)11-4-2-6-19(8-11)9-13(20)21;/h1,3,5,7,11H,2,4,6,8-9H2,(H,20,21);1H.
What are the key properties of 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride?
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride has a molecular weight of 341.77 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 119921304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).