[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone

C23H24FN5O3 — CID 11166491

IUPAC[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C23H24FN5O3/c24-19-6-3-16(4-7-19)21-26-22(32-27-21)18-2-1-9-29(15-18)23(30)17-5-8-20(25-14-17)28-10-12-31-13-11-28/h3-8,14,18H,1-2,9-13,15H2/t18-/m0/s1
InChIKeyORWNDBMQEHVRSW-SFHVURJKSA-N
MW437.48 g/mol
LogP3.13
Rot. Bonds4

About [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone

[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (PubChem CID 11166491) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
PubChem CID11166491
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C23H24FN5O3/c24-19-6-3-16(4-7-19)21-26-22(32-27-21)18-2-1-9-29(15-18)23(30)17-5-8-20(25-14-17)28-10-12-31-13-11-28/h3-8,14,18H,1-2,9-13,15H2/t18-/m0/s1
InChIKeyORWNDBMQEHVRSW-SFHVURJKSA-N
XLogP3.13
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 68924485
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-fluoro-4-pyridinyl)methanone
CID 68925735
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 15947762
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 58066194
[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95277119
[4-(aminomethyl)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 119313758
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183658
(4-fluoro-3-methoxyphenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 15947877
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 11257794

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone (CID 11166491) is [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone is O=C(c1ccc(N2CCOCC2)nc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
The InChIKey is ORWNDBMQEHVRSW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24FN5O3/c24-19-6-3-16(4-7-19)21-26-22(32-27-21)18-2-1-9-29(15-18)23(30)17-5-8-20(25-14-17)28-10-12-31-13-11-28/h3-8,14,18H,1-2,9-13,15H2/t18-/m0/s1.
What are the key properties of [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone?
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone has a molecular weight of 437.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 11166491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).