4-(octylcarbamoyloxy)piperidine-1-carboxylic acid

C15H28N2O4 — CID 19807178

IUPAC4-(octylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-2-3-4-5-6-7-10-16-14(18)21-13-8-11-17(12-9-13)15(19)20/h13H,2-12H2,1H3,(H,16,18)(H,19,20)
InChIKeyRYAMRRURUBJUCY-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.22
Rot. Bonds8

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

4-(octylcarbamoyloxy)piperidine-1-carboxylic acid (PubChem CID 19807178) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(octylcarbamoyloxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(octylcarbamoyloxy)piperidine-1-carboxylic acid
PubChem CID19807178
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-(octylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C15H28N2O4/c1-2-3-4-5-6-7-10-16-14(18)21-13-8-11-17(12-9-13)15(19)20/h13H,2-12H2,1H3,(H,16,18)(H,19,20)
InChIKeyRYAMRRURUBJUCY-UHFFFAOYSA-N
XLogP3.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.22
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-(octylcarbamoyloxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(octylcarbamoyloxy)piperidine-1-carboxylic acid (CID 19807178) is 4-(octylcarbamoyloxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(octylcarbamoyloxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(octylcarbamoyloxy)piperidine-1-carboxylic acid is CCCCCCCCNC(=O)OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(octylcarbamoyloxy)piperidine-1-carboxylic acid?
The InChIKey is RYAMRRURUBJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-2-3-4-5-6-7-10-16-14(18)21-13-8-11-17(12-9-13)15(19)20/h13H,2-12H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-(octylcarbamoyloxy)piperidine-1-carboxylic acid?
4-(octylcarbamoyloxy)piperidine-1-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(octylcarbamoyloxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 19807178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).