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

C15H18FNO3 — CID 63209441

IUPAC1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C)(C(=O)O)CC2)ccc1F
InChIInChI=1S/C15H18FNO3/c1-10-9-11(3-4-12(10)16)13(18)17-7-5-15(2,6-8-17)14(19)20/h3-4,9H,5-8H2,1-2H3,(H,19,20)
InChIKeyULEWLNDPODPWEP-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.46
Rot. Bonds2

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

1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63209441) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63209441
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(C)(C(=O)O)CC2)ccc1F
InChIInChI=1S/C15H18FNO3/c1-10-9-11(3-4-12(10)16)13(18)17-7-5-15(2,6-8-17)14(19)20/h3-4,9H,5-8H2,1-2H3,(H,19,20)
InChIKeyULEWLNDPODPWEP-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

Analyze 1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-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

(4-fluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304379
3-fluoro-1-(4-fluoro-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119257992
(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63213419
1-(3,4-dimethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166899
1-(3,5-dimethylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123254
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetic acid
CID 63209941
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
1-(3-fluoro-4-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107160927
(4-fluoro-3-methylphenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110814912
1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 107702562
(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236873
(4-fluoro-3-methylphenyl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 154839329

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid (CID 63209441) is 1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid is Cc1cc(C(=O)N2CCC(C)(C(=O)O)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is ULEWLNDPODPWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10-9-11(3-4-12(10)16)13(18)17-7-5-15(2,6-8-17)14(19)20/h3-4,9H,5-8H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid?
1-(4-fluoro-3-methylbenzoyl)-4-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-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63209441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).