3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C22H23F2NO4 — CID 55309408

IUPAC3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCCCOc1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F2NO4/c23-18-4-2-16(3-5-18)21(26)25-12-10-17(11-13-25)22(27)29-15-1-14-28-20-8-6-19(24)7-9-20/h2-9,17H,1,10-15H2
InChIKeyXTBCTGHOCLMGGE-UHFFFAOYSA-N
MW403.43 g/mol
LogP3.83
Rot. Bonds7

About 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate

3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 55309408) has the molecular formula C22H23F2NO4 and a molecular weight of 403.43 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID55309408
Molecular FormulaC22H23F2NO4
Molecular Weight403.43 g/mol
Exact Mass403.16
IUPAC Name3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCCCOc1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F2NO4/c23-18-4-2-16(3-5-18)21(26)25-12-10-17(11-13-25)22(27)29-15-1-14-28-20-8-6-19(24)7-9-20/h2-9,17H,1,10-15H2
InChIKeyXTBCTGHOCLMGGE-UHFFFAOYSA-N
XLogP3.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91712006
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360135
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
butyl 1-(2,5-difluorobenzoyl)piperidine-4-carboxylate
CID 91717479
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740040
octyl 1-(4-ethylbenzoyl)piperidine-4-carboxylate
CID 91737596
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 55309408) is 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is O=C(OCCCOc1ccc(F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is XTBCTGHOCLMGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO4/c23-18-4-2-16(3-5-18)21(26)25-12-10-17(11-13-25)22(27)29-15-1-14-28-20-8-6-19(24)7-9-20/h2-9,17H,1,10-15H2.
What are the key properties of 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 403.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 55309408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).