2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide

C26H52N2O2 — CID 18789416

IUPAC2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCO
InChIInChI=1S/C26H52N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-27-26(30)28-23-19-17-20-25(28)21-24-29/h25,29H,2-24H2,1H3,(H,27,30)
InChIKeyYWBIEQSUVIKNRN-UHFFFAOYSA-N
MW424.71 g/mol
LogP7.19
Rot. Bonds19

About 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide

2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide (PubChem CID 18789416) has the molecular formula C26H52N2O2 and a molecular weight of 424.71 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide
PubChem CID18789416
Molecular FormulaC26H52N2O2
Molecular Weight424.71 g/mol
Exact Mass424.40
IUPAC Name2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCO
InChIInChI=1S/C26H52N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-27-26(30)28-23-19-17-20-25(28)21-24-29/h25,29H,2-24H2,1H3,(H,27,30)
InChIKeyYWBIEQSUVIKNRN-UHFFFAOYSA-N
XLogP7.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide (CID 18789416) is 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide?
The InChIKey is YWBIEQSUVIKNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-27-26(30)28-23-19-17-20-25(28)21-24-29/h25,29H,2-24H2,1H3,(H,27,30).
What are the key properties of 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide?
2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide has a molecular weight of 424.71 g/mol, XLogP of 7.19, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide is sourced from PubChem (CID 18789416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).