5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid

C21H28N2O3 — CID 122123842

IUPAC5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2C3CCC2Cc2ccccc2C3)C1
InChIInChI=1S/C21H28N2O3/c1-13-8-18(20(24)25)12-23(11-13)21(26)22-19-16-6-7-17(19)10-15-5-3-2-4-14(15)9-16/h2-5,13,16-19H,6-12H2,1H3,(H,22,26)(H,24,25)
InChIKeyLJKUSPVMVBWBPJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.93
Rot. Bonds2

About 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid

5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 122123842) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID122123842
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2C3CCC2Cc2ccccc2C3)C1
InChIInChI=1S/C21H28N2O3/c1-13-8-18(20(24)25)12-23(11-13)21(26)22-19-16-6-7-17(19)10-15-5-3-2-4-14(15)9-16/h2-5,13,16-19H,6-12H2,1H3,(H,22,26)(H,24,25)
InChIKeyLJKUSPVMVBWBPJ-UHFFFAOYSA-N
XLogP2.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123219
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123979
5-methyl-1-[(2-methyl-1,3-dihydroinden-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123345
5-methyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122123028
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
5-methyl-1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122122094
5-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122122689
5-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122872
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122869
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid (CID 122123842) is 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC2C3CCC2Cc2ccccc2C3)C1.
What is the InChIKey of 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is LJKUSPVMVBWBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-13-8-18(20(24)25)12-23(11-13)21(26)22-19-16-6-7-17(19)10-15-5-3-2-4-14(15)9-16/h2-5,13,16-19H,6-12H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid?
5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 356.47 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122123842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).