1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C17H23FN2O3 — CID 122123692

IUPAC1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCCc2ccccc2F)C1
InChIInChI=1S/C17H23FN2O3/c1-12-9-14(16(21)22)11-20(10-12)17(23)19-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyGAVLFIWAWMYSLQ-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.51
Rot. Bonds5

About 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123692) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123692
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCCc2ccccc2F)C1
InChIInChI=1S/C17H23FN2O3/c1-12-9-14(16(21)22)11-20(10-12)17(23)19-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyGAVLFIWAWMYSLQ-UHFFFAOYSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[4-(4-fluorophenoxy)butylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122228
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
5-methyl-1-[3-(2-phenylmethoxyethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122123416
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
1-[(5-bromo-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122233
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197
5-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122695
1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123924
5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122165

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123692) is 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCCCc2ccccc2F)C1.
What is the InChIKey of 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is GAVLFIWAWMYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-12-9-14(16(21)22)11-20(10-12)17(23)19-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 322.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).