hexadecyl N-(2-piperidin-1-ylethyl)carbamate

C24H48N2O2 — CID 18968674

IUPAChexadecyl N-(2-piperidin-1-ylethyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NCCN1CCCCC1
InChIInChI=1S/C24H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-28-24(27)25-19-22-26-20-16-15-17-21-26/h2-23H2,1H3,(H,25,27)
InChIKeyKWKPUBJPLSADJN-UHFFFAOYSA-N
MW396.66 g/mol
LogP6.68
Rot. Bonds18

About hexadecyl N-(2-piperidin-1-ylethyl)carbamate

hexadecyl N-(2-piperidin-1-ylethyl)carbamate (PubChem CID 18968674) has the molecular formula C24H48N2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is hexadecyl N-(2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Namehexadecyl N-(2-piperidin-1-ylethyl)carbamate
PubChem CID18968674
Molecular FormulaC24H48N2O2
Molecular Weight396.66 g/mol
Exact Mass396.37
IUPAC Namehexadecyl N-(2-piperidin-1-ylethyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NCCN1CCCCC1
InChIInChI=1S/C24H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-28-24(27)25-19-22-26-20-16-15-17-21-26/h2-23H2,1H3,(H,25,27)
InChIKeyKWKPUBJPLSADJN-UHFFFAOYSA-N
XLogP6.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 56.68
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 hexadecyl N-(2-piperidin-1-ylethyl)carbamate?
The IUPAC name of hexadecyl N-(2-piperidin-1-ylethyl)carbamate (CID 18968674) is hexadecyl N-(2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for hexadecyl N-(2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for hexadecyl N-(2-piperidin-1-ylethyl)carbamate is CCCCCCCCCCCCCCCCOC(=O)NCCN1CCCCC1.
What is the InChIKey of hexadecyl N-(2-piperidin-1-ylethyl)carbamate?
The InChIKey is KWKPUBJPLSADJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-28-24(27)25-19-22-26-20-16-15-17-21-26/h2-23H2,1H3,(H,25,27).
What are the key properties of hexadecyl N-(2-piperidin-1-ylethyl)carbamate?
hexadecyl N-(2-piperidin-1-ylethyl)carbamate has a molecular weight of 396.66 g/mol, XLogP of 6.68, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl N-(2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 18968674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).