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

C15H19F3N2O3S — CID 17018131

IUPAC1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O3S/c1-2-24(22,23)20-9-3-4-11(10-20)14(21)19-13-7-5-12(6-8-13)15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyBVYUIZNOGPXMHN-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.71
Rot. Bonds4

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

1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 17018131) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID17018131
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC Name1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O3S/c1-2-24(22,23)20-9-3-4-11(10-20)14(21)19-13-7-5-12(6-8-13)15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyBVYUIZNOGPXMHN-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447130
(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447175
(3S)-1-ethylsulfonyl-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide;(3S)-1-ethylsulfonylpiperidine-3-carboxylic acid
CID 167672683
(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92661322
2-[[4-[(1-ethylsulfonylpiperidine-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 119220408
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
1-ethylsulfonyl-N-(4-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 50945076
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 17018131) is 1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)Nc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is BVYUIZNOGPXMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c1-2-24(22,23)20-9-3-4-11(10-20)14(21)19-13-7-5-12(6-8-13)15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21).
What are the key properties of 1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 17018131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).