1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid

C15H18FNO3 — CID 106742099

IUPAC1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC(C(=O)O)CC2C)c1F
InChIInChI=1S/C15H18FNO3/c1-9-4-3-5-12(13(9)16)14(18)17-7-6-11(15(19)20)8-10(17)2/h3-5,10-11H,6-8H2,1-2H3,(H,19,20)
InChIKeyDXMJTKJHLNMJOG-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.46
Rot. Bonds2

About 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid

1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742099) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742099
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC(C(=O)O)CC2C)c1F
InChIInChI=1S/C15H18FNO3/c1-9-4-3-5-12(13(9)16)14(18)17-7-6-11(15(19)20)8-10(17)2/h3-5,10-11H,6-8H2,1-2H3,(H,19,20)
InChIKeyDXMJTKJHLNMJOG-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741861
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 106742085
2-methyl-1-(2-nitrobenzoyl)piperidine-4-carboxylic acid
CID 106741751
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-fluoro-3-methylphenyl)methanone
CID 80711637
2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 106742049
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
1-(2-fluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 81477321
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
2-methyl-1-(2,3,5-triiodobenzoyl)piperidine-4-carboxylic acid
CID 106742074

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid (CID 106742099) is 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid is Cc1cccc(C(=O)N2CCC(C(=O)O)CC2C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is DXMJTKJHLNMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-9-4-3-5-12(13(9)16)14(18)17-7-6-11(15(19)20)8-10(17)2/h3-5,10-11H,6-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid?
1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).