[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C21H22FNO3 — CID 7739997

IUPAC[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESC[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H22FNO3/c1-15(16-5-3-2-4-6-16)26-21(25)18-11-13-23(14-12-18)20(24)17-7-9-19(22)10-8-17/h2-10,15,18H,11-14H2,1H3/t15-/m0/s1
InChIKeyLYSIFESWOFSHLW-HNNXBMFYSA-N
MW355.41 g/mol
LogP3.98
Rot. Bonds4

About [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 7739997) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID7739997
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESC[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H22FNO3/c1-15(16-5-3-2-4-6-16)26-21(25)18-11-13-23(14-12-18)20(24)17-7-9-19(22)10-8-17/h2-10,15,18H,11-14H2,1H3/t15-/m0/s1
InChIKeyLYSIFESWOFSHLW-HNNXBMFYSA-N
XLogP3.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635136
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635137
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360104
1-O-tert-butyl 4-O-[(1S)-1-phenylethyl] piperidine-1,4-dicarboxylate
CID 138393461
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 46622384
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360041
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55420124
4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91712006
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836674
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 7739997) is [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is LYSIFESWOFSHLW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-15(16-5-3-2-4-6-16)26-21(25)18-11-13-23(14-12-18)20(24)17-7-9-19(22)10-8-17/h2-10,15,18H,11-14H2,1H3/t15-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 355.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7739997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).