3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

C22H26FN3O3 — CID 56700944

IUPAC3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCC1CCN(C(=O)c2ccc3cccc(F)c3n2)CC1)N1CCOCC1
InChIInChI=1S/C22H26FN3O3/c23-18-3-1-2-17-5-6-19(24-21(17)18)22(28)26-10-8-16(9-11-26)4-7-20(27)25-12-14-29-15-13-25/h1-3,5-6,16H,4,7-15H2
InChIKeyIKCGLXPVYFTQMX-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.87
Rot. Bonds4

About 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 56700944) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID56700944
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCC1CCN(C(=O)c2ccc3cccc(F)c3n2)CC1)N1CCOCC1
InChIInChI=1S/C22H26FN3O3/c23-18-3-1-2-17-5-6-19(24-21(17)18)22(28)26-10-8-16(9-11-26)4-7-20(27)25-12-14-29-15-13-25/h1-3,5-6,16H,4,7-15H2
InChIKeyIKCGLXPVYFTQMX-UHFFFAOYSA-N
XLogP2.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 70739483
(8-fluoroquinolin-2-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 70737643
3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42556966
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(8-fluoroquinolin-2-yl)methanone
CID 70781091
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 26329389
1-morpholin-4-yl-3-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]propan-1-one
CID 28735827
(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 115496754
1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one
CID 138034492
1-[(3R,4S)-1-(8-fluoroquinoline-2-carbonyl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134697538
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
2-(3-chlorophenoxy)-1-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
CID 45189623

Frequently Asked Questions

What is the IUPAC name of 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 56700944) is 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCC1CCN(C(=O)c2ccc3cccc(F)c3n2)CC1)N1CCOCC1.
What is the InChIKey of 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is IKCGLXPVYFTQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-18-3-1-2-17-5-6-19(24-21(17)18)22(28)26-10-8-16(9-11-26)4-7-20(27)25-12-14-29-15-13-25/h1-3,5-6,16H,4,7-15H2.
What are the key properties of 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 399.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(8-fluoroquinoline-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56700944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).