3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C21H32FN3O4S — CID 91903778

IUPAC3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)c2ccccc2F)CC1)NCCCN1CCOCC1
InChIInChI=1S/C21H32FN3O4S/c22-19-4-1-2-5-20(19)30(27,28)25-12-8-18(9-13-25)6-7-21(26)23-10-3-11-24-14-16-29-17-15-24/h1-2,4-5,18H,3,6-17H2,(H,23,26)
InChIKeyMIXSZPYTYCZWRB-UHFFFAOYSA-N
MW441.57 g/mol
LogP1.85
Rot. Bonds9

About 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide

3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 91903778) has the molecular formula C21H32FN3O4S and a molecular weight of 441.57 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID91903778
Molecular FormulaC21H32FN3O4S
Molecular Weight441.57 g/mol
Exact Mass441.21
IUPAC Name3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)c2ccccc2F)CC1)NCCCN1CCOCC1
InChIInChI=1S/C21H32FN3O4S/c22-19-4-1-2-5-20(19)30(27,28)25-12-8-18(9-13-25)6-7-21(26)23-10-3-11-24-14-16-29-17-15-24/h1-2,4-5,18H,3,6-17H2,(H,23,26)
InChIKeyMIXSZPYTYCZWRB-UHFFFAOYSA-N
XLogP1.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 91903778) is 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide is O=C(CCC1CCN(S(=O)(=O)c2ccccc2F)CC1)NCCCN1CCOCC1.
What is the InChIKey of 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is MIXSZPYTYCZWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O4S/c22-19-4-1-2-5-20(19)30(27,28)25-12-8-18(9-13-25)6-7-21(26)23-10-3-11-24-14-16-29-17-15-24/h1-2,4-5,18H,3,6-17H2,(H,23,26).
What are the key properties of 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 441.57 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 91903778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).