1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

C17H20FN3O4S — CID 49083017

IUPAC1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)on1
InChIInChI=1S/C17H20FN3O4S/c1-12-10-15(25-20-12)11-19-17(22)13-6-8-21(9-7-13)26(23,24)16-4-2-14(18)3-5-16/h2-5,10,13H,6-9,11H2,1H3,(H,19,22)
InChIKeyLFTUXFJNGMAYPH-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.84
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 49083017) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID49083017
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)on1
InChIInChI=1S/C17H20FN3O4S/c1-12-10-15(25-20-12)11-19-17(22)13-6-8-21(9-7-13)26(23,24)16-4-2-14(18)3-5-16/h2-5,10,13H,6-9,11H2,1H3,(H,19,22)
InChIKeyLFTUXFJNGMAYPH-UHFFFAOYSA-N
XLogP1.84
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 49082877
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17469505
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
N-[(4-bromothiophen-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55802223
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27332723
1-(4-fluorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27052613
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549809
1-(4-fluorophenyl)sulfonyl-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 1455647
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24509082
N-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 78781141
1-(4-ethylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602176

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (CID 49083017) is 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)on1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LFTUXFJNGMAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-12-10-15(25-20-12)11-19-17(22)13-6-8-21(9-7-13)26(23,24)16-4-2-14(18)3-5-16/h2-5,10,13H,6-9,11H2,1H3,(H,19,22).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 49083017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).