3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide

C20H23F3N4O3S — CID 146373024

IUPAC3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
SMILESN#Cc1ccc(C2CCN(S(=O)(=O)C3CN(C(=O)NC4(C(F)(F)F)CC4)C3)CC2)cc1
InChIInChI=1S/C20H23F3N4O3S/c21-20(22,23)19(7-8-19)25-18(28)26-12-17(13-26)31(29,30)27-9-5-16(6-10-27)15-3-1-14(11-24)2-4-15/h1-4,16-17H,5-10,12-13H2,(H,25,28)
InChIKeyWAFIWUQMIDQOSE-UHFFFAOYSA-N
MW456.49 g/mol
LogP2.56
Rot. Bonds4

About 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide

3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide (PubChem CID 146373024) has the molecular formula C20H23F3N4O3S and a molecular weight of 456.49 g/mol. Its IUPAC name is 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
PubChem CID146373024
Molecular FormulaC20H23F3N4O3S
Molecular Weight456.49 g/mol
Exact Mass456.14
IUPAC Name3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
SMILESN#Cc1ccc(C2CCN(S(=O)(=O)C3CN(C(=O)NC4(C(F)(F)F)CC4)C3)CC2)cc1
InChIInChI=1S/C20H23F3N4O3S/c21-20(22,23)19(7-8-19)25-18(28)26-12-17(13-26)31(29,30)27-9-5-16(6-10-27)15-3-1-14(11-24)2-4-15/h1-4,16-17H,5-10,12-13H2,(H,25,28)
InChIKeyWAFIWUQMIDQOSE-UHFFFAOYSA-N
XLogP2.56
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-({[4-(trifluoromethyl)phenyl]methanesulfonamido}methyl)piperidine-1-carboxamide
CID 71796759
N-cyclopropyl-3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-methylazetidine-1-carboxamide
CID 146373020
3-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
CID 146373143
N-[2-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide
CID 153452674
4-[1-[1-[1-(Trifluoromethyl)cyclopropyl]azetidin-3-yl]sulfonylpiperidin-4-yl]benzonitrile
CID 154022398
4-[1-[1-[2-[1-(Trifluoromethyl)cyclopropyl]acetyl]azetidin-3-yl]sulfonylpiperidin-4-yl]benzonitrile
CID 161203435
1-[4-[Cyano-[4-(trifluoromethyl)phenyl]methylidene]piperidine-1-carbonyl]piperidine-4-sulfonamide
CID 171473603
3-[[2-(6,6-Dioxo-6lambda6-thia-2,5-diazaspiro[3.5]nonane-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-5-(trifluoromethyl)benzonitrile
CID 176336586
N-(2-fluoro-2-phenylcyclopropyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 145880194
N-tert-butyl-3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonylazetidine-1-carboxamide
CID 146372954
3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-cyclopropyl-N-methylazetidine-1-carboxamide
CID 146373145
3-[(4-methylphenyl)methyl]-N-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidine-1-carboxamide
CID 132325793

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The IUPAC name of 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide (CID 146373024) is 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide is N#Cc1ccc(C2CCN(S(=O)(=O)C3CN(C(=O)NC4(C(F)(F)F)CC4)C3)CC2)cc1.
What is the InChIKey of 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
The InChIKey is WAFIWUQMIDQOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3S/c21-20(22,23)19(7-8-19)25-18(28)26-12-17(13-26)31(29,30)27-9-5-16(6-10-27)15-3-1-14(11-24)2-4-15/h1-4,16-17H,5-10,12-13H2,(H,25,28).
What are the key properties of 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide?
3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyanophenyl)piperidin-1-yl]sulfonyl-N-[1-(trifluoromethyl)cyclopropyl]azetidine-1-carboxamide is sourced from PubChem (CID 146373024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).