2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol

C23H27FN4O2 — CID 139015602

IUPAC2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1cccc(-c2noc(CC3CCN(CC(C)(O)c4ccc(F)cc4)CC3)n2)n1
InChIInChI=1S/C23H27FN4O2/c1-16-4-3-5-20(25-16)22-26-21(30-27-22)14-17-10-12-28(13-11-17)15-23(2,29)18-6-8-19(24)9-7-18/h3-9,17,29H,10-15H2,1-2H3
InChIKeyNBLIFMZIGBJSSQ-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.74
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol

2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 139015602) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol
PubChem CID139015602
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1cccc(-c2noc(CC3CCN(CC(C)(O)c4ccc(F)cc4)CC3)n2)n1
InChIInChI=1S/C23H27FN4O2/c1-16-4-3-5-20(25-16)22-26-21(30-27-22)14-17-10-12-28(13-11-17)15-23(2,29)18-6-8-19(24)9-7-18/h3-9,17,29H,10-15H2,1-2H3
InChIKeyNBLIFMZIGBJSSQ-UHFFFAOYSA-N
XLogP3.74
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
3-(5-fluoro-2-pyridinyl)-5-[(1-pent-3-ynylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 136563598
3-(5-fluoro-2-pyridinyl)-5-[[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 139015601
2-methyl-N-[2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 63555395
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
5-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-3-(1,2-thiazol-3-yl)-1,2,4-oxadiazole
CID 146106179
(4-fluorophenyl)-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91906465
tert-butyl 4-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate
CID 75526735
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 25204681
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 171682383
(4-benzylpiperidin-1-yl)-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38151794

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol (CID 139015602) is 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol is Cc1cccc(-c2noc(CC3CCN(CC(C)(O)c4ccc(F)cc4)CC3)n2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is NBLIFMZIGBJSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-16-4-3-5-20(25-16)22-26-21(30-27-22)14-17-10-12-28(13-11-17)15-23(2,29)18-6-8-19(24)9-7-18/h3-9,17,29H,10-15H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol?
2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 410.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 139015602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).