ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate

C23H26FNO3 — CID 45234120

IUPACethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2F)CC1
InChIInChI=1S/C23H26FNO3/c1-2-28-23(27)18-12-14-25(15-13-18)22(26)16-20(17-8-4-3-5-9-17)19-10-6-7-11-21(19)24/h3-11,18,20H,2,12-16H2,1H3
InChIKeyHYOOCJOFVOFAMS-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.15
Rot. Bonds6

About ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate

ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate (PubChem CID 45234120) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
PubChem CID45234120
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Nameethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2F)CC1
InChIInChI=1S/C23H26FNO3/c1-2-28-23(27)18-12-14-25(15-13-18)22(26)16-20(17-8-4-3-5-9-17)19-10-6-7-11-21(19)24/h3-11,18,20H,2,12-16H2,1H3
InChIKeyHYOOCJOFVOFAMS-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 42774746
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
ethyl 1-[(3S)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanoyl]piperidine-4-carboxylate
CID 93114889
ethyl 1-[3-(2-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperidine-4-carboxylate
CID 46342918
ethyl 1-[cyano-(2-fluorophenyl)methyl]piperidine-4-carboxylate
CID 84756740
1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742
1-[(3S)-3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 124688108
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide
CID 45204131
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate (CID 45234120) is ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2F)CC1.
What is the InChIKey of ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate?
The InChIKey is HYOOCJOFVOFAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-2-28-23(27)18-12-14-25(15-13-18)22(26)16-20(17-8-4-3-5-9-17)19-10-6-7-11-21(19)24/h3-11,18,20H,2,12-16H2,1H3.
What are the key properties of ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate has a molecular weight of 383.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 45234120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).