N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide

C18H23F3N2O4S — CID 3230729

IUPACN-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H23F3N2O4S/c19-18(20,21)14-5-1-7-16(10-14)28(25,26)23-8-2-4-13(12-23)17(24)22-11-15-6-3-9-27-15/h1,5,7,10,13,15H,2-4,6,8-9,11-12H2,(H,22,24)
InChIKeyYDUCVENTETXRGN-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.40
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide

N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 3230729) has the molecular formula C18H23F3N2O4S and a molecular weight of 420.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID3230729
Molecular FormulaC18H23F3N2O4S
Molecular Weight420.45 g/mol
Exact Mass420.13
IUPAC NameN-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H23F3N2O4S/c19-18(20,21)14-5-1-7-16(10-14)28(25,26)23-8-2-4-13(12-23)17(24)22-11-15-6-3-9-27-15/h1,5,7,10,13,15H,2-4,6,8-9,11-12H2,(H,22,24)
InChIKeyYDUCVENTETXRGN-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((2S)-1-oxo-1-(((tetrahydrofuran-2-yl)methyl)amino)propan-2-yl)-1-tosylpiperidine-4-carboxamide
CID 5389529
1-(benzylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 651955
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 2955285
N-(3-morpholin-4-ylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 4540124
3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 4879627
3-(4-Propylsulfamoyl-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-propionamide
CID 653232
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2950846
1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 3242233
N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 25102338
1-[(4-methylphenyl)sulfonyl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 2921149
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
3-(4-{[(2-phenylethyl)amino]sulfonyl}phenyl)-N-(tetrahydro-2-furanylmethyl)propanamide
CID 2955371

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide (CID 3230729) is N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide is O=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is YDUCVENTETXRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4S/c19-18(20,21)14-5-1-7-16(10-14)28(25,26)23-8-2-4-13(12-23)17(24)22-11-15-6-3-9-27-15/h1,5,7,10,13,15H,2-4,6,8-9,11-12H2,(H,22,24).
What are the key properties of N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide?
N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3230729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).