1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid

C14H17FN2O3 — CID 103871145

IUPAC1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(N)cc2F)C(C(=O)O)C1
InChIInChI=1S/C14H17FN2O3/c1-8-4-5-17(12(6-8)14(19)20)13(18)10-3-2-9(16)7-11(10)15/h2-3,7-8,12H,4-6,16H2,1H3,(H,19,20)
InChIKeyNIEZWIIUJYCUDZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.73
Rot. Bonds2

About 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid

1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 103871145) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID103871145
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(N)cc2F)C(C(=O)O)C1
InChIInChI=1S/C14H17FN2O3/c1-8-4-5-17(12(6-8)14(19)20)13(18)10-3-2-9(16)7-11(10)15/h2-3,7-8,12H,4-6,16H2,1H3,(H,19,20)
InChIKeyNIEZWIIUJYCUDZ-UHFFFAOYSA-N
XLogP1.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421066
(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 103871055
1-(2-chloro-4,5-difluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421364
1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421356
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
1-[2-(4-aminophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867440
(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103687923
4-(4-amino-2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 63596987
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
4-methyl-1-(2,4,6-trimethylbenzoyl)piperidine-2-carboxylic acid
CID 114421816
(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666987
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid (CID 103871145) is 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)c2ccc(N)cc2F)C(C(=O)O)C1.
What is the InChIKey of 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is NIEZWIIUJYCUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8-4-5-17(12(6-8)14(19)20)13(18)10-3-2-9(16)7-11(10)15/h2-3,7-8,12H,4-6,16H2,1H3,(H,19,20).
What are the key properties of 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 103871145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).