1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C17H23FN2O4S — CID 2921284

IUPAC1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h3-6,13,15H,1-2,7-12H2,(H,19,21)
InChIKeyQDWYXHDGQUODCW-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.52
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2921284) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2921284
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h3-6,13,15H,1-2,7-12H2,(H,19,21)
InChIKeyQDWYXHDGQUODCW-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 5389529
CID 5389529
CID 645869
CID 645869
CID 649739
CID 649739
CID 651280
CID 651280
CID 651955
CID 651955
CID 2939698
CID 2939698
CID 3207003
CID 3207003
CID 3207190
CID 3207190
CID 3230729
CID 3230729
CID 3237390
CID 3237390
CID 6473156
CID 6473156
CID 2955285
CID 2955285

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2921284) is 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is QDWYXHDGQUODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h3-6,13,15H,1-2,7-12H2,(H,19,21).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2921284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).