1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid

C20H20FNO3 — CID 22240695

IUPAC1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H20FNO3/c21-17-8-6-15(7-9-17)14-18(23)22-12-10-20(11-13-22,19(24)25)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,24,25)
InChIKeyYMKXJKUXELDCJX-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.01
Rot. Bonds4

About 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid

1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 22240695) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID22240695
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(Cc1ccc(F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H20FNO3/c21-17-8-6-15(7-9-17)14-18(23)22-12-10-20(11-13-22,19(24)25)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,24,25)
InChIKeyYMKXJKUXELDCJX-UHFFFAOYSA-N
XLogP3.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-difluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512865
1-[4-(4-fluorophenyl)but-3-enoyl]-4-phenylpiperidine-4-carboxylic acid
CID 154750479
methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
CID 78838423
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 55657332
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745
2-(4-fluorophenyl)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 108533899

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid (CID 22240695) is 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid is O=C(Cc1ccc(F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is YMKXJKUXELDCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-17-8-6-15(7-9-17)14-18(23)22-12-10-20(11-13-22,19(24)25)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,24,25).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid?
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 341.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22240695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).