1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid

C20H19F2NO3 — CID 119167628

IUPAC1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1F
InChIInChI=1S/C20H19F2NO3/c1-12-9-15(21)5-7-16(12)17-6-4-13(10-18(17)22)19(24)23-8-2-3-14(11-23)20(25)26/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,25,26)
InChIKeyPRCHQUPWGBRQPG-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.88
Rot. Bonds3

About 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid

1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 119167628) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid
PubChem CID119167628
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1F
InChIInChI=1S/C20H19F2NO3/c1-12-9-15(21)5-7-16(12)17-6-4-13(10-18(17)22)19(24)23-8-2-3-14(11-23)20(25)26/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,25,26)
InChIKeyPRCHQUPWGBRQPG-UHFFFAOYSA-N
XLogP3.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone
CID 119401901
[2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride
CID 119632720
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251541
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
1-(3-fluoro-4-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041999
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 45429250
1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid
CID 119167379
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid (CID 119167628) is 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid is Cc1cc(F)ccc1-c1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is PRCHQUPWGBRQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO3/c1-12-9-15(21)5-7-16(12)17-6-4-13(10-18(17)22)19(24)23-8-2-3-14(11-23)20(25)26/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,25,26).
What are the key properties of 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid?
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 359.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).