N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C20H26F3N3O4S — CID 24979579

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H26F3N3O4S/c21-20(22,23)16-4-1-5-17(14-16)31(29,30)26-12-7-15(8-13-26)19(28)24-9-3-11-25-10-2-6-18(25)27/h1,4-5,14-15H,2-3,6-13H2,(H,24,28)
InChIKeyNKACJBILNNWSCH-UHFFFAOYSA-N
MW461.51 g/mol
LogP2.23
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 24979579) has the molecular formula C20H26F3N3O4S and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID24979579
Molecular FormulaC20H26F3N3O4S
Molecular Weight461.51 g/mol
Exact Mass461.16
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H26F3N3O4S/c21-20(22,23)16-4-1-5-17(14-16)31(29,30)26-12-7-15(8-13-26)19(28)24-9-3-11-25-10-2-6-18(25)27/h1,4-5,14-15H,2-3,6-13H2,(H,24,28)
InChIKeyNKACJBILNNWSCH-UHFFFAOYSA-N
XLogP2.23
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
4-(3,5-Bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-piperidine-1-carboxylic acid tert-butyl ester
CID 44389185
2,2-Dimethyl-N-[1-(3-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 646229
1-[3-[4-(2-Methylpropylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 1287856
N-(2-phenylethyl)-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327814
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2334774
2,2-Dimethyl-N-[1-(4-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 3218828
1-(3-Trifluoromethyl-benzenesulfonyl)-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 3230729
N-(3-azepan-1-ylpropyl)-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 3238098
N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 4877700
(S)-N-propyl-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 7679666
N-(3-{[2-(3-fluorophenyl)ethyl]amino}-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585309

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 24979579) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is NKACJBILNNWSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O4S/c21-20(22,23)16-4-1-5-17(14-16)31(29,30)26-12-7-15(8-13-26)19(28)24-9-3-11-25-10-2-6-18(25)27/h1,4-5,14-15H,2-3,6-13H2,(H,24,28).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 461.51 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24979579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).