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

C18H23FN2O3 — CID 124726986

IUPAC2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCCCO2)C1
InChIInChI=1S/C18H23FN2O3/c19-16-7-5-14(6-8-16)12-17(22)20-9-3-4-15(13-20)18(23)21-10-1-2-11-24-21/h5-8,15H,1-4,9-13H2/t15-/m0/s1
InChIKeyCLPVEBWGLGAAAX-HNNXBMFYSA-N
MW334.39 g/mol
LogP2.16
Rot. Bonds3

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

2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 124726986) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone
PubChem CID124726986
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCCCO2)C1
InChIInChI=1S/C18H23FN2O3/c19-16-7-5-14(6-8-16)12-17(22)20-9-3-4-15(13-20)18(23)21-10-1-2-11-24-21/h5-8,15H,1-4,9-13H2/t15-/m0/s1
InChIKeyCLPVEBWGLGAAAX-HNNXBMFYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
2-(4-fluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 55743877
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
3-[1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 134800449
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
1-[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 46546638
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085
N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
CID 55758241

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone (CID 124726986) is 2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCCCO2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is CLPVEBWGLGAAAX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-16-7-5-14(6-8-16)12-17(22)20-9-3-4-15(13-20)18(23)21-10-1-2-11-24-21/h5-8,15H,1-4,9-13H2/t15-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 334.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124726986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).