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

C20H19F2NO4 — CID 119251541

IUPAC1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1F
InChIInChI=1S/C20H19F2NO4/c1-12-10-14(21)3-5-15(12)16-4-2-13(11-17(16)22)18(24)23-8-6-20(27,7-9-23)19(25)26/h2-5,10-11,27H,6-9H2,1H3,(H,25,26)
InChIKeyKAXVVLNVBNUCEC-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.99
Rot. Bonds3

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

1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251541) has the molecular formula C20H19F2NO4 and a molecular weight of 375.37 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251541
Molecular FormulaC20H19F2NO4
Molecular Weight375.37 g/mol
Exact Mass375.13
IUPAC Name1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1F
InChIInChI=1S/C20H19F2NO4/c1-12-10-14(21)3-5-15(12)16-4-2-13(11-17(16)22)18(24)23-8-6-20(27,7-9-23)19(25)26/h2-5,10-11,27H,6-9H2,1H3,(H,25,26)
InChIKeyKAXVVLNVBNUCEC-UHFFFAOYSA-N
XLogP2.99
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone
CID 119401901
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]piperidine-3-carboxylic acid
CID 119167628
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250905
[2-(aminomethyl)pyrrolidin-1-yl]-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone;hydrochloride
CID 119632720
1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
1-(3-bromo-5-fluorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251432
4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63213419

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid (CID 119251541) is 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid is Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is KAXVVLNVBNUCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO4/c1-12-10-14(21)3-5-15(12)16-4-2-13(11-17(16)22)18(24)23-8-6-20(27,7-9-23)19(25)26/h2-5,10-11,27H,6-9H2,1H3,(H,25,26).
What are the key properties of 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 375.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).