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

C15H19F3N2O4S — CID 94782036

IUPAC(3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyBPAOPEQELJCSLA-LLVKDONJSA-N
MW380.39 g/mol
LogP2.59
Rot. Bonds5

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

(3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 94782036) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is (3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
PubChem CID94782036
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Name(3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyBPAOPEQELJCSLA-LLVKDONJSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (CID 94782036) is (3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is BPAOPEQELJCSLA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
(3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-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 (3R)-1-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 94782036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).