1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid

C14H16FNO3 — CID 62514425

IUPAC1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
SMILESCc1ccc(F)c(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C14H16FNO3/c1-9-5-6-11(15)10(8-9)13(17)16-7-3-2-4-12(16)14(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)
InChIKeyLJRJRYDILVQQSQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.21
Rot. Bonds2

About 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid

1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid (PubChem CID 62514425) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
PubChem CID62514425
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
SMILESCc1ccc(F)c(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C14H16FNO3/c1-9-5-6-11(15)10(8-9)13(17)16-7-3-2-4-12(16)14(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)
InChIKeyLJRJRYDILVQQSQ-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxamide
CID 62508896
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
[2-(2-chloroethyl)piperidin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 55186852
(2-fluoro-5-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55083267
(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 103871055
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
(2S)-1-(2-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 110834780
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(2R)-1-(2,4-dimethyl-5-nitrobenzoyl)piperidine-2-carboxylic acid
CID 122108496
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120537401

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid (CID 62514425) is 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid is Cc1ccc(F)c(C(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid?
The InChIKey is LJRJRYDILVQQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9-5-6-11(15)10(8-9)13(17)16-7-3-2-4-12(16)14(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,18,19).
What are the key properties of 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid?
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 62514425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).