3-piperidin-1-ylpropyl N-octylcarbamate

C17H34N2O2 — CID 11417860

IUPAC3-piperidin-1-ylpropyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCCN1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-8-12-18-17(20)21-16-11-15-19-13-9-7-10-14-19/h2-16H2,1H3,(H,18,20)
InChIKeyIFDRGXGUWRULLC-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.95
Rot. Bonds11

About 3-piperidin-1-ylpropyl N-octylcarbamate

3-piperidin-1-ylpropyl N-octylcarbamate (PubChem CID 11417860) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl N-octylcarbamate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl N-octylcarbamate
PubChem CID11417860
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name3-piperidin-1-ylpropyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCCN1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-8-12-18-17(20)21-16-11-15-19-13-9-7-10-14-19/h2-16H2,1H3,(H,18,20)
InChIKeyIFDRGXGUWRULLC-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.95
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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Related Compounds

3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
3-pyrrolidin-1-ylpropyl N-[6-(3-pyrrolidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847303
2-piperidin-1-ylethyl N-(10-decylsulfanyldecyl)carbamate
CID 21260148
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
azane;octyl N-octylcarbamate
CID 175531380
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl N-octylcarbamate?
The IUPAC name of 3-piperidin-1-ylpropyl N-octylcarbamate (CID 11417860) is 3-piperidin-1-ylpropyl N-octylcarbamate.
What is the SMILES notation for 3-piperidin-1-ylpropyl N-octylcarbamate?
The canonical SMILES for 3-piperidin-1-ylpropyl N-octylcarbamate is CCCCCCCCNC(=O)OCCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropyl N-octylcarbamate?
The InChIKey is IFDRGXGUWRULLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-4-5-6-8-12-18-17(20)21-16-11-15-19-13-9-7-10-14-19/h2-16H2,1H3,(H,18,20).
What are the key properties of 3-piperidin-1-ylpropyl N-octylcarbamate?
3-piperidin-1-ylpropyl N-octylcarbamate has a molecular weight of 298.47 g/mol, XLogP of 3.95, 11 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-octylcarbamate is sourced from PubChem (CID 11417860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).