2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid

C16H30N2O3 — CID 104598392

IUPAC2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCCCCCCNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-4-5-6-7-9-12-17-15(21)18-13-10-8-11-16(18,2)14(19)20/h3-13H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyANZUYMYXPRHABB-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.39
Rot. Bonds8

About 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid

2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 104598392) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID104598392
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCCCCCCNC(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-3-4-5-6-7-9-12-17-15(21)18-13-10-8-11-16(18,2)14(19)20/h3-13H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyANZUYMYXPRHABB-UHFFFAOYSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.39
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

2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-(5-methylhexylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113287701
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113495111
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
1-(cyclopropylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597783
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431021
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
2-methyl-1-(2-methylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid (CID 104598392) is 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid is CCCCCCCCNC(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is ANZUYMYXPRHABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-4-5-6-7-9-12-17-15(21)18-13-10-8-11-16(18,2)14(19)20/h3-13H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid?
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104598392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).