2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide

C22H23FN4O3 — CID 95104326

IUPAC2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCCC[C@@H]2c2nc(-c3cccc(F)c3)no2)c1
InChIInChI=1S/C22H23FN4O3/c1-29-18-9-5-8-17(13-18)24-20(28)14-27-11-3-2-10-19(27)22-25-21(26-30-22)15-6-4-7-16(23)12-15/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyDFXPSAKTEYXQIT-LJQANCHMSA-N
MW410.45 g/mol
LogP4.05
Rot. Bonds6

About 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide

2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 95104326) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID95104326
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCCC[C@@H]2c2nc(-c3cccc(F)c3)no2)c1
InChIInChI=1S/C22H23FN4O3/c1-29-18-9-5-8-17(13-18)24-20(28)14-27-11-3-2-10-19(27)22-25-21(26-30-22)15-6-4-7-16(23)12-15/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,24,28)/t19-/m1/s1
InChIKeyDFXPSAKTEYXQIT-LJQANCHMSA-N
XLogP4.05
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 95104324
2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 95104313
N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 95104334
N-(3-methoxyphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4567625
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95104341
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7262323
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
N-(3-fluorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3226032
(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295920
(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 95057715

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 95104326) is 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCCC[C@@H]2c2nc(-c3cccc(F)c3)no2)c1.
What is the InChIKey of 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is DFXPSAKTEYXQIT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-29-18-9-5-8-17(13-18)24-20(28)14-27-11-3-2-10-19(27)22-25-21(26-30-22)15-6-4-7-16(23)12-15/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,24,28)/t19-/m1/s1.
What are the key properties of 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 410.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 95104326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).