1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

C22H26FN3O4S — CID 2450449

IUPAC1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H26FN3O4S/c23-20-3-1-2-4-21(20)31(28,29)26-11-9-17(10-12-26)22(27)24-18-5-7-19(8-6-18)25-13-15-30-16-14-25/h1-8,17H,9-16H2,(H,24,27)
InChIKeyRPANQRHPEOXVMS-UHFFFAOYSA-N
MW447.53 g/mol
LogP2.70
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 2450449) has the molecular formula C22H26FN3O4S and a molecular weight of 447.53 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID2450449
Molecular FormulaC22H26FN3O4S
Molecular Weight447.53 g/mol
Exact Mass447.16
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H26FN3O4S/c23-20-3-1-2-4-21(20)31(28,29)26-11-9-17(10-12-26)22(27)24-18-5-7-19(8-6-18)25-13-15-30-16-14-25/h1-8,17H,9-16H2,(H,24,27)
InChIKeyRPANQRHPEOXVMS-UHFFFAOYSA-N
XLogP2.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 2450449) is 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is RPANQRHPEOXVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4S/c23-20-3-1-2-4-21(20)31(28,29)26-11-9-17(10-12-26)22(27)24-18-5-7-19(8-6-18)25-13-15-30-16-14-25/h1-8,17H,9-16H2,(H,24,27).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 447.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2450449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).