1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid

C15H18FNO3 — CID 122118872

IUPAC1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(F)cc(C(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C15H18FNO3/c1-9-3-11(6-13(16)5-9)14(18)17-7-10(2)4-12(8-17)15(19)20/h3,5-6,10,12H,4,7-8H2,1-2H3,(H,19,20)
InChIKeyFBSDLXMOZCOTBT-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.32
Rot. Bonds2

About 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid

1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118872) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122118872
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(F)cc(C(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C15H18FNO3/c1-9-3-11(6-13(16)5-9)14(18)17-7-10(2)4-12(8-17)15(19)20/h3,5-6,10,12H,4,7-8H2,1-2H3,(H,19,20)
InChIKeyFBSDLXMOZCOTBT-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
5-methyl-1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119170
1-[3-chloro-5-(trifluoromethyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117410
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-(5-iodothiophene-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118299
1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118403
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901004
(3-chloro-4-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 102961602
1-(2-bromo-6-fluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119668
1-[2-fluoro-4-(4-fluorophenyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118292
1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
CID 119138735

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid (CID 122118872) is 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid is Cc1cc(F)cc(C(=O)N2CC(C)CC(C(=O)O)C2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is FBSDLXMOZCOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-9-3-11(6-13(16)5-9)14(18)17-7-10(2)4-12(8-17)15(19)20/h3,5-6,10,12H,4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid?
1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylbenzoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).