1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

C14H16BrFN2O3 — CID 107601975

IUPAC1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2c(F)cccc2Br)C(C(=O)O)C1
InChIInChI=1S/C14H16BrFN2O3/c1-8-5-6-18(11(7-8)13(19)20)14(21)17-12-9(15)3-2-4-10(12)16/h2-4,8,11H,5-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyNFDMOYBXIIIZGO-UHFFFAOYSA-N
MW359.20 g/mol
LogP3.31
Rot. Bonds2

About 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid

1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 107601975) has the molecular formula C14H16BrFN2O3 and a molecular weight of 359.20 g/mol. Its IUPAC name is 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID107601975
Molecular FormulaC14H16BrFN2O3
Molecular Weight359.20 g/mol
Exact Mass358.03
IUPAC Name1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Nc2c(F)cccc2Br)C(C(=O)O)C1
InChIInChI=1S/C14H16BrFN2O3/c1-8-5-6-18(11(7-8)13(19)20)14(21)17-12-9(15)3-2-4-10(12)16/h2-4,8,11H,5-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyNFDMOYBXIIIZGO-UHFFFAOYSA-N
XLogP3.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114426059
4-[(2-bromo-6-fluorophenyl)carbamoyl]morpholine-3-carboxylic acid
CID 107601863
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425691
3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 63113608
1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 107601848
1-[(3-fluoro-5-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425698
(2S)-1-[(2,6-dibromophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 107601792
1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 107601918
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481
1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425149
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
(2S,4R)-1-[(2-chloro-6-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104877883

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid (CID 107601975) is 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)Nc2c(F)cccc2Br)C(C(=O)O)C1.
What is the InChIKey of 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is NFDMOYBXIIIZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O3/c1-8-5-6-18(11(7-8)13(19)20)14(21)17-12-9(15)3-2-4-10(12)16/h2-4,8,11H,5-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid?
1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 359.20 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107601975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).