1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone

C17H21FN2O2 — CID 95720133

IUPAC1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
SMILESO=C(C[C@@H]1COCCN1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN2O2/c18-15-3-1-13(2-4-15)14-5-8-20(9-6-14)17(21)11-16-12-22-10-7-19-16/h1-5,16,19H,6-12H2/t16-/m1/s1
InChIKeyJICXETVNMYMKOT-MRXNPFEDSA-N
MW304.36 g/mol
LogP1.82
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone

1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone (PubChem CID 95720133) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
PubChem CID95720133
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
SMILESO=C(C[C@@H]1COCCN1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H21FN2O2/c18-15-3-1-13(2-4-15)14-5-8-20(9-6-14)17(21)11-16-12-22-10-7-19-16/h1-5,16,19H,6-12H2/t16-/m1/s1
InChIKeyJICXETVNMYMKOT-MRXNPFEDSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone with MolForge

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Related Compounds

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[(3S)-morpholin-3-yl]ethanone
CID 96581347
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
CID 70766726
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
1-(3-hydroxyazetidin-1-yl)-2-morpholin-3-ylethanone
CID 107217537
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 177042462
(3aR,7aR)-2-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51511306
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(5R,7R)-3-hydroxy-1-adamantyl]ethanone
CID 98168287
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
CID 116595683
3-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 17402349
4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid
CID 95710502

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone (CID 95720133) is 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone is O=C(C[C@@H]1COCCN1)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The InChIKey is JICXETVNMYMKOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-15-3-1-13(2-4-15)14-5-8-20(9-6-14)17(21)11-16-12-22-10-7-19-16/h1-5,16,19H,6-12H2/t16-/m1/s1.
What are the key properties of 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone has a molecular weight of 304.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone is sourced from PubChem (CID 95720133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).