1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C19H38N4O4S — CID 3245624

IUPAC1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C19H38N4O4S/c1-3-5-11-22(4-2)28(25,26)23-12-7-18(8-13-23)19(24)20-9-6-10-21-14-16-27-17-15-21/h18H,3-17H2,1-2H3,(H,20,24)
InChIKeyJREXVBMIBBQAEV-UHFFFAOYSA-N
MW418.60 g/mol
LogP0.90
Rot. Bonds11

About 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 3245624) has the molecular formula C19H38N4O4S and a molecular weight of 418.60 g/mol. Its IUPAC name is 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID3245624
Molecular FormulaC19H38N4O4S
Molecular Weight418.60 g/mol
Exact Mass418.26
IUPAC Name1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C19H38N4O4S/c1-3-5-11-22(4-2)28(25,26)23-12-7-18(8-13-23)19(24)20-9-6-10-21-14-16-27-17-15-21/h18H,3-17H2,1-2H3,(H,20,24)
InChIKeyJREXVBMIBBQAEV-UHFFFAOYSA-N
XLogP0.90
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 50.90
H-Bond Donors ≤ 51
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 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 3245624) is 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is CCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is JREXVBMIBBQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O4S/c1-3-5-11-22(4-2)28(25,26)23-12-7-18(8-13-23)19(24)20-9-6-10-21-14-16-27-17-15-21/h18H,3-17H2,1-2H3,(H,20,24).
What are the key properties of 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 418.60 g/mol, XLogP of 0.90, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3245624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).