3-piperidin-1-ylpropyl N-pentylcarbamate

C14H28N2O2 — CID 10131310

IUPAC3-piperidin-1-ylpropyl N-pentylcarbamate
SMILESCCCCCNC(=O)OCCCN1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-2-3-5-9-15-14(17)18-13-8-12-16-10-6-4-7-11-16/h2-13H2,1H3,(H,15,17)
InChIKeyVXLSFCKPAGUEFA-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.78
Rot. Bonds8

About 3-piperidin-1-ylpropyl N-pentylcarbamate

3-piperidin-1-ylpropyl N-pentylcarbamate (PubChem CID 10131310) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl N-pentylcarbamate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl N-pentylcarbamate
PubChem CID10131310
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-piperidin-1-ylpropyl N-pentylcarbamate
SMILESCCCCCNC(=O)OCCCN1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-2-3-5-9-15-14(17)18-13-8-12-16-10-6-4-7-11-16/h2-13H2,1H3,(H,15,17)
InChIKeyVXLSFCKPAGUEFA-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 3-piperidin-1-ylpropyl N-pentylcarbamate?
The IUPAC name of 3-piperidin-1-ylpropyl N-pentylcarbamate (CID 10131310) is 3-piperidin-1-ylpropyl N-pentylcarbamate.
What is the SMILES notation for 3-piperidin-1-ylpropyl N-pentylcarbamate?
The canonical SMILES for 3-piperidin-1-ylpropyl N-pentylcarbamate is CCCCCNC(=O)OCCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropyl N-pentylcarbamate?
The InChIKey is VXLSFCKPAGUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-3-5-9-15-14(17)18-13-8-12-16-10-6-4-7-11-16/h2-13H2,1H3,(H,15,17).
What are the key properties of 3-piperidin-1-ylpropyl N-pentylcarbamate?
3-piperidin-1-ylpropyl N-pentylcarbamate has a molecular weight of 256.39 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl N-pentylcarbamate is sourced from PubChem (CID 10131310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).