4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid

C22H24FNO3 — CID 22240726

IUPAC4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
SMILESO=C(CCc1ccccc1)N1CCC(Cc2ccc(F)cc2)(C(=O)O)CC1
InChIInChI=1S/C22H24FNO3/c23-19-9-6-18(7-10-19)16-22(21(26)27)12-14-24(15-13-22)20(25)11-8-17-4-2-1-3-5-17/h1-7,9-10H,8,11-16H2,(H,26,27)
InChIKeyPFBYQLGAIUMLGS-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.69
Rot. Bonds6

About 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid

4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid (PubChem CID 22240726) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
PubChem CID22240726
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
SMILESO=C(CCc1ccccc1)N1CCC(Cc2ccc(F)cc2)(C(=O)O)CC1
InChIInChI=1S/C22H24FNO3/c23-19-9-6-18(7-10-19)16-22(21(26)27)12-14-24(15-13-22)20(25)11-8-17-4-2-1-3-5-17/h1-7,9-10H,8,11-16H2,(H,26,27)
InChIKeyPFBYQLGAIUMLGS-UHFFFAOYSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 22240979
4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600561
1-[4-(dimethylamino)-4-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689549
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112861
4-benzyl-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600629
(3S,4S)-4-benzyl-3-hydroxy-1-[3-(4-hydroxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 135115264
4-benzyl-N-[2-(3,4-dichlorophenyl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600576
1-benzylcyclopropane-1-carboxylic acid
CID 562561

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid (CID 22240726) is 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid is O=C(CCc1ccccc1)N1CCC(Cc2ccc(F)cc2)(C(=O)O)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid?
The InChIKey is PFBYQLGAIUMLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-19-9-6-18(7-10-19)16-22(21(26)27)12-14-24(15-13-22)20(25)11-8-17-4-2-1-3-5-17/h1-7,9-10H,8,11-16H2,(H,26,27).
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid?
4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid has a molecular weight of 369.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22240726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).