2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride

C34H67ClN4O4 — CID 18789365

IUPAC2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN1CCOCC1.Cl
InChIInChI=1S/C34H66N4O4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-35-33(39)38-26-19-17-21-32(38)22-29-42-34(40)36-24-20-25-37-27-30-41-31-28-37;/h32H,2-31H2,1H3,(H,35,39)(H,36,40);1H
InChIKeyDOZUFENQXSIETG-UHFFFAOYSA-N
MW631.39 g/mol
LogP8.07
Rot. Bonds24

About 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride

2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride (PubChem CID 18789365) has the molecular formula C34H67ClN4O4 and a molecular weight of 631.39 g/mol. Its IUPAC name is 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride.

Molecular Properties

Compound Name2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride
PubChem CID18789365
Molecular FormulaC34H67ClN4O4
Molecular Weight631.39 g/mol
Exact Mass630.49
IUPAC Name2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN1CCOCC1.Cl
InChIInChI=1S/C34H66N4O4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-35-33(39)38-26-19-17-21-32(38)22-29-42-34(40)36-24-20-25-37-27-30-41-31-28-37;/h32H,2-31H2,1H3,(H,35,39)(H,36,40);1H
InChIKeyDOZUFENQXSIETG-UHFFFAOYSA-N
XLogP8.07
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.39
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride?
The IUPAC name of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride (CID 18789365) is 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride.
What is the SMILES notation for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride?
The canonical SMILES for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride is CCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN1CCOCC1.Cl.
What is the InChIKey of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride?
The InChIKey is DOZUFENQXSIETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N4O4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-35-33(39)38-26-19-17-21-32(38)22-29-42-34(40)36-24-20-25-37-27-30-41-31-28-37;/h32H,2-31H2,1H3,(H,35,39)(H,36,40);1H.
What are the key properties of 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride?
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride has a molecular weight of 631.39 g/mol, XLogP of 8.07, 24 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(3-morpholin-4-ylpropyl)carbamate;hydrochloride is sourced from PubChem (CID 18789365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).