2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone

C22H26FN3O3 — CID 155505758

IUPAC2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C22H26FN3O3/c23-19-5-1-3-17(13-19)14-21(27)26-9-12-29-20(16-25-7-10-28-11-8-25)22(26)18-4-2-6-24-15-18/h1-6,13,15,20,22H,7-12,14,16H2/t20-,22-/m0/s1
InChIKeyWOMFVYGAEKCGEB-UNMCSNQZSA-N
MW399.47 g/mol
LogP2.06
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone

2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone (PubChem CID 155505758) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
PubChem CID155505758
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C22H26FN3O3/c23-19-5-1-3-17(13-19)14-21(27)26-9-12-29-20(16-25-7-10-28-11-8-25)22(26)18-4-2-6-24-15-18/h1-6,13,15,20,22H,7-12,14,16H2/t20-,22-/m0/s1
InChIKeyWOMFVYGAEKCGEB-UNMCSNQZSA-N
XLogP2.06
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155503401
2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
CID 155505230
(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504237
(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 155503656
N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 155492711
1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504219
(4-hydroxy-2-methylphenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155491360
[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 155501269
6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 155510191
2-[4-(hydroxymethyl)phenyl]-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 155510119
1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone
CID 155495620
(2S,3S)-N-methyl-2-(morpholin-4-ylmethyl)-N-propan-2-yl-3-pyridin-3-ylmorpholine-4-sulfonamide
CID 155494427

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone (CID 155505758) is 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCO[C@@H](CN2CCOCC2)[C@@H]1c1cccnc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone?
The InChIKey is WOMFVYGAEKCGEB-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-19-5-1-3-17(13-19)14-21(27)26-9-12-29-20(16-25-7-10-28-11-8-25)22(26)18-4-2-6-24-15-18/h1-6,13,15,20,22H,7-12,14,16H2/t20-,22-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone?
2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone has a molecular weight of 399.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone is sourced from PubChem (CID 155505758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).