1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C15H19F3N2O4S — CID 38267925

IUPAC1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-8-6-11(7-9-20)14(21)19-12-4-3-5-13(10-12)24-15(16,17)18/h3-5,10-11H,2,6-9H2,1H3,(H,19,21)
InChIKeyLPBUQYFCHVPJPJ-UHFFFAOYSA-N
MW380.39 g/mol
LogP2.59
Rot. Bonds5

About 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 38267925) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID38267925
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Name1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-8-6-11(7-9-20)14(21)19-12-4-3-5-13(10-12)24-15(16,17)18/h3-5,10-11H,2,6-9H2,1H3,(H,19,21)
InChIKeyLPBUQYFCHVPJPJ-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
tert-butyl (3R)-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 156743217
1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 28572806
1-[(3-bromophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 28565911
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
N-quinolin-6-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55784367
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-4-hydroxycyclohexane-1-carboxamide
CID 169308033
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 18280720
1-(2-methylphenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123293205
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 38267925) is 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is LPBUQYFCHVPJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-8-6-11(7-9-20)14(21)19-12-4-3-5-13(10-12)24-15(16,17)18/h3-5,10-11H,2,6-9H2,1H3,(H,19,21).
What are the key properties of 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 38267925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).