octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate

C33H63N3O5 — CID 18789470

IUPACoctadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)N1CCCCC1CCOC(=O)NCCN1CCOCC1
InChIInChI=1S/C33H63N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-41-33(38)36-23-18-17-20-31(36)21-28-40-32(37)34-22-24-35-25-29-39-30-26-35/h31H,2-30H2,1H3,(H,34,37)
InChIKeyVMVUTGGEPJUKQO-UHFFFAOYSA-N
MW581.88 g/mol
LogP7.69
Rot. Bonds23

About octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate

octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate (PubChem CID 18789470) has the molecular formula C33H63N3O5 and a molecular weight of 581.88 g/mol. Its IUPAC name is octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameoctadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate
PubChem CID18789470
Molecular FormulaC33H63N3O5
Molecular Weight581.88 g/mol
Exact Mass581.48
IUPAC Nameoctadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)N1CCCCC1CCOC(=O)NCCN1CCOCC1
InChIInChI=1S/C33H63N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-41-33(38)36-23-18-17-20-31(36)21-28-40-32(37)34-22-24-35-25-29-39-30-26-35/h31H,2-30H2,1H3,(H,34,37)
InChIKeyVMVUTGGEPJUKQO-UHFFFAOYSA-N
XLogP7.69
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.88
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate (CID 18789470) is octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate is CCCCCCCCCCCCCCCCCCOC(=O)N1CCCCC1CCOC(=O)NCCN1CCOCC1.
What is the InChIKey of octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate?
The InChIKey is VMVUTGGEPJUKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H63N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-41-33(38)36-23-18-17-20-31(36)21-28-40-32(37)34-22-24-35-25-29-39-30-26-35/h31H,2-30H2,1H3,(H,34,37).
What are the key properties of octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate?
octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate has a molecular weight of 581.88 g/mol, XLogP of 7.69, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl 2-[2-(2-morpholin-4-ylethylcarbamoyloxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 18789470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).