1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone

C18H23FN2O3 — CID 94037830

IUPAC1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H23FN2O3/c1-13(22)20-8-2-3-15(11-20)18(23)21-9-10-24-17(12-21)14-4-6-16(19)7-5-14/h4-7,15,17H,2-3,8-12H2,1H3/t15-,17-/m0/s1
InChIKeyKHROFYWTFLWPFX-RDJZCZTQSA-N
MW334.39 g/mol
LogP1.98
Rot. Bonds2

About 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone

1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone (PubChem CID 94037830) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
PubChem CID94037830
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H23FN2O3/c1-13(22)20-8-2-3-15(11-20)18(23)21-9-10-24-17(12-21)14-4-6-16(19)7-5-14/h4-7,15,17H,2-3,8-12H2,1H3/t15-,17-/m0/s1
InChIKeyKHROFYWTFLWPFX-RDJZCZTQSA-N
XLogP1.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
CID 38373556
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 94005516
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
(5S)-5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-2-one
CID 94159203
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119112320
(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95569973
1-[4-(2-pyridin-4-ylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110102575
4-[(2S)-4-acetylmorpholin-2-yl]benzoic acid
CID 167741837
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone (CID 94037830) is 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1.
What is the InChIKey of 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is KHROFYWTFLWPFX-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-13(22)20-8-2-3-15(11-20)18(23)21-9-10-24-17(12-21)14-4-6-16(19)7-5-14/h4-7,15,17H,2-3,8-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 334.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 94037830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).