1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid

C20H19F2NO3 — CID 120512865

IUPAC1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H19F2NO3/c21-16-7-6-14(12-17(16)22)13-18(24)23-10-8-20(9-11-23,19(25)26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,25,26)
InChIKeyFEWGLMGZUWTIEJ-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.15
Rot. Bonds4

About 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid

1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 120512865) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID120512865
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H19F2NO3/c21-16-7-6-14(12-17(16)22)13-18(24)23-10-8-20(9-11-23,19(25)26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,25,26)
InChIKeyFEWGLMGZUWTIEJ-UHFFFAOYSA-N
XLogP3.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528184
4-[4-[2-(3,4-difluorophenyl)acetyl]piperazin-1-yl]-4-oxobut-2-enoic acid
CID 6735027
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 120809329
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
CID 78838423
2-fluoro-4-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]benzoic acid
CID 166284704
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid
CID 154750479
2-(4-chlorophenyl)-1-[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]ethanone
CID 78891083
1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433248

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid (CID 120512865) is 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid is O=C(Cc1ccc(F)c(F)c1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is FEWGLMGZUWTIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO3/c21-16-7-6-14(12-17(16)22)13-18(24)23-10-8-20(9-11-23,19(25)26)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,25,26).
What are the key properties of 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 359.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 120512865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).