4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid

C13H24N2O4 — CID 22401232

IUPAC4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-4-5-8-14-12(16)19-11-6-9-15(10-7-11)13(17)18/h11H,2-10H2,1H3,(H,14,16)(H,17,18)
InChIKeyVBKKVEKBSKJYPY-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.44
Rot. Bonds6

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

4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid (PubChem CID 22401232) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid
PubChem CID22401232
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid
SMILESCCCCCCNC(=O)OC1CCN(C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-2-3-4-5-8-14-12(16)19-11-6-9-15(10-7-11)13(17)18/h11H,2-10H2,1H3,(H,14,16)(H,17,18)
InChIKeyVBKKVEKBSKJYPY-UHFFFAOYSA-N
XLogP2.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.44
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-(hexylcarbamoyloxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid (CID 22401232) is 4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid is CCCCCCNC(=O)OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid?
The InChIKey is VBKKVEKBSKJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-3-4-5-8-14-12(16)19-11-6-9-15(10-7-11)13(17)18/h11H,2-10H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid?
4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylcarbamoyloxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 22401232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).