1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide

C16H20F3N3O3S — CID 121154179

IUPAC1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C16H20F3N3O3S/c17-16(18,19)12-1-3-14(4-2-12)26(24,25)22-9-13(10-22)21-7-5-11(6-8-21)15(20)23/h1-4,11,13H,5-10H2,(H2,20,23)
InChIKeyUZLRGGAREVXSPD-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.28
Rot. Bonds4

About 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide

1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154179) has the molecular formula C16H20F3N3O3S and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154179
Molecular FormulaC16H20F3N3O3S
Molecular Weight391.42 g/mol
Exact Mass391.12
IUPAC Name1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C16H20F3N3O3S/c17-16(18,19)12-1-3-14(4-2-12)26(24,25)22-9-13(10-22)21-7-5-11(6-8-21)15(20)23/h1-4,11,13H,5-10H2,(H2,20,23)
InChIKeyUZLRGGAREVXSPD-UHFFFAOYSA-N
XLogP1.28
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154139
1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 63030803
1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 119099937
1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154153
(8aR)-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 141356406
1-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153923
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154164
1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154210
1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
CID 166069617
(1R,5S)-6-methyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133125422

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide (CID 121154179) is 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is UZLRGGAREVXSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3S/c17-16(18,19)12-1-3-14(4-2-12)26(24,25)22-9-13(10-22)21-7-5-11(6-8-21)15(20)23/h1-4,11,13H,5-10H2,(H2,20,23).
What are the key properties of 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide?
1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).