1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C19H30FN3O3S — CID 3244656

IUPAC1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FN3O3S/c1-3-5-12-22(4-2)27(25,26)23-13-10-17(11-14-23)19(24)21-15-16-6-8-18(20)9-7-16/h6-9,17H,3-5,10-15H2,1-2H3,(H,21,24)
InChIKeyYKDLLEXXDWYNDV-UHFFFAOYSA-N
MW399.53 g/mol
LogP2.52
Rot. Bonds9

About 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 3244656) has the molecular formula C19H30FN3O3S and a molecular weight of 399.53 g/mol. Its IUPAC name is 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID3244656
Molecular FormulaC19H30FN3O3S
Molecular Weight399.53 g/mol
Exact Mass399.20
IUPAC Name1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FN3O3S/c1-3-5-12-22(4-2)27(25,26)23-13-10-17(11-14-23)19(24)21-15-16-6-8-18(20)9-7-16/h6-9,17H,3-5,10-15H2,1-2H3,(H,21,24)
InChIKeyYKDLLEXXDWYNDV-UHFFFAOYSA-N
XLogP2.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 3244656) is 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is CCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YKDLLEXXDWYNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O3S/c1-3-5-12-22(4-2)27(25,26)23-13-10-17(11-14-23)19(24)21-15-16-6-8-18(20)9-7-16/h6-9,17H,3-5,10-15H2,1-2H3,(H,21,24).
What are the key properties of 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 399.53 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(ethyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3244656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).