2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone

C22H26FN3O2 — CID 95809063

IUPAC2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1
InChIInChI=1S/C22H26FN3O2/c23-19-8-6-17(7-9-19)20-4-1-5-21(24-20)18-3-2-10-25(15-18)16-22(27)26-11-13-28-14-12-26/h1,4-9,18H,2-3,10-16H2/t18-/m0/s1
InChIKeyJUUVNQJIKAWEMO-SFHVURJKSA-N
MW383.47 g/mol
LogP2.93
Rot. Bonds4

About 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 95809063) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID95809063
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1
InChIInChI=1S/C22H26FN3O2/c23-19-8-6-17(7-9-19)20-4-1-5-21(24-20)18-3-2-10-25(15-18)16-22(27)26-11-13-28-14-12-26/h1,4-9,18H,2-3,10-16H2/t18-/m0/s1
InChIKeyJUUVNQJIKAWEMO-SFHVURJKSA-N
XLogP2.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809077
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413
1-morpholin-4-yl-2-[3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255279
2-[(3R)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95839072
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249315
2-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 110268056
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679
1-[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809899

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 95809063) is 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1.
What is the InChIKey of 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is JUUVNQJIKAWEMO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-19-8-6-17(7-9-19)20-4-1-5-21(24-20)18-3-2-10-25(15-18)16-22(27)26-11-13-28-14-12-26/h1,4-9,18H,2-3,10-16H2/t18-/m0/s1.
What are the key properties of 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 383.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 95809063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).