1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C14H18FN3O5S — CID 122102384

IUPAC1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H18FN3O5S/c1-8-2-9(13(19)20)7-18(6-8)14(21)17-11-3-10(15)4-12(5-11)24(16,22)23/h3-5,8-9H,2,6-7H2,1H3,(H,17,21)(H,19,20)(H2,16,22,23)
InChIKeyQXLUNZBYYQGERZ-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.05
Rot. Bonds3

About 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102384) has the molecular formula C14H18FN3O5S and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102384
Molecular FormulaC14H18FN3O5S
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H18FN3O5S/c1-8-2-9(13(19)20)7-18(6-8)14(21)17-11-3-10(15)4-12(5-11)24(16,22)23/h3-5,8-9H,2,6-7H2,1H3,(H,17,21)(H,19,20)(H2,16,22,23)
InChIKeyQXLUNZBYYQGERZ-UHFFFAOYSA-N
XLogP1.05
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102256
(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 40794398
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
1-[(4-cyano-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103154
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
1-[(4,5-difluoro-2-piperidin-1-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103164
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide
CID 55979660
1-[(5-bromo-2,4-dimethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102886

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102384) is 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is QXLUNZBYYQGERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O5S/c1-8-2-9(13(19)20)7-18(6-8)14(21)17-11-3-10(15)4-12(5-11)24(16,22)23/h3-5,8-9H,2,6-7H2,1H3,(H,17,21)(H,19,20)(H2,16,22,23).
What are the key properties of 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-5-sulfamoylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).