methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate

C21H20ClFN4O3 — CID 99782788

IUPACmethyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C21H20ClFN4O3/c1-29-21(28)18(17-14(22)5-4-6-15(17)23)27-11-8-13(9-12-27)20-25-19(26-30-20)16-7-2-3-10-24-16/h2-7,10,13,18H,8-9,11-12H2,1H3/t18-/m1/s1
InChIKeyKFESNZYLVPLBIV-GOSISDBHSA-N
MW430.87 g/mol
LogP4.02
Rot. Bonds5

About methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate

methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate (PubChem CID 99782788) has the molecular formula C21H20ClFN4O3 and a molecular weight of 430.87 g/mol. Its IUPAC name is methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
PubChem CID99782788
Molecular FormulaC21H20ClFN4O3
Molecular Weight430.87 g/mol
Exact Mass430.12
IUPAC Namemethyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C21H20ClFN4O3/c1-29-21(28)18(17-14(22)5-4-6-15(17)23)27-11-8-13(9-12-27)20-25-19(26-30-20)16-7-2-3-10-24-16/h2-7,10,13,18H,8-9,11-12H2,1H3/t18-/m1/s1
InChIKeyKFESNZYLVPLBIV-GOSISDBHSA-N
XLogP4.02
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 86888454
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
(2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 52522453
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 97020839
(2-fluorophenyl)-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 110235442
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870833
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024882

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate?
The IUPAC name of methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate (CID 99782788) is methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate?
The canonical SMILES for methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate is COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCC(c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate?
The InChIKey is KFESNZYLVPLBIV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20ClFN4O3/c1-29-21(28)18(17-14(22)5-4-6-15(17)23)27-11-8-13(9-12-27)20-25-19(26-30-20)16-7-2-3-10-24-16/h2-7,10,13,18H,8-9,11-12H2,1H3/t18-/m1/s1.
What are the key properties of methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate?
methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate has a molecular weight of 430.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 99782788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).