4-(decylcarbamoyloxy)piperidine-1-carboxylic acid

C17H32N2O4 — CID 22401233

IUPAC4-(decylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C17H32N2O4/c1-2-3-4-5-6-7-8-9-12-18-16(20)23-15-10-13-19(14-11-15)17(21)22/h15H,2-14H2,1H3,(H,18,20)(H,21,22)
InChIKeyJWARUWQKLOELFT-UHFFFAOYSA-N
MW328.45 g/mol
LogP4.00
Rot. Bonds10

About 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid

4-(decylcarbamoyloxy)piperidine-1-carboxylic acid (PubChem CID 22401233) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(decylcarbamoyloxy)piperidine-1-carboxylic acid
PubChem CID22401233
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name4-(decylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C17H32N2O4/c1-2-3-4-5-6-7-8-9-12-18-16(20)23-15-10-13-19(14-11-15)17(21)22/h15H,2-14H2,1H3,(H,18,20)(H,21,22)
InChIKeyJWARUWQKLOELFT-UHFFFAOYSA-N
XLogP4.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid (CID 22401233) is 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid is CCCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid?
The InChIKey is JWARUWQKLOELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-2-3-4-5-6-7-8-9-12-18-16(20)23-15-10-13-19(14-11-15)17(21)22/h15H,2-14H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid?
4-(decylcarbamoyloxy)piperidine-1-carboxylic acid has a molecular weight of 328.45 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decylcarbamoyloxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 22401233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).