1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid

C13H13F2NO3 — CID 62650616

IUPAC1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C13H13F2NO3/c14-10-3-1-2-9(11(10)15)12(17)16-6-4-8(5-7-16)13(18)19/h1-3,8H,4-7H2,(H,18,19)
InChIKeyWPXFQGPPUWUZQU-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.90
Rot. Bonds2

About 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid

1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid (PubChem CID 62650616) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
PubChem CID62650616
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C13H13F2NO3/c14-10-3-1-2-9(11(10)15)12(17)16-6-4-8(5-7-16)13(18)19/h1-3,8H,4-7H2,(H,18,19)
InChIKeyWPXFQGPPUWUZQU-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63030779
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
1-(2,3-difluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118890
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
(3S)-1-(2-chloro-3-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129393963
N-(2,6-difluorophenyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113008965
1-(2-fluoro-6-iodobenzoyl)piperidine-4-carboxylic acid
CID 119349235
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609
(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62662160
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
1-(2-fluoro-6-methoxybenzoyl)piperidine-4-carboxylic acid
CID 65432243

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid (CID 62650616) is 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cccc(F)c2F)CC1.
What is the InChIKey of 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid?
The InChIKey is WPXFQGPPUWUZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-10-3-1-2-9(11(10)15)12(17)16-6-4-8(5-7-16)13(18)19/h1-3,8H,4-7H2,(H,18,19).
What are the key properties of 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid?
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid has a molecular weight of 269.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 62650616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).