N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C14H22F3N3O4S — CID 110345397

IUPACN-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H22F3N3O4S/c15-14(16,17)13(22)19-8-3-11(4-9-19)12(21)18-5-10-25(23,24)20-6-1-2-7-20/h11H,1-10H2,(H,18,21)
InChIKeyYVONWNOSYFASCX-UHFFFAOYSA-N
MW385.41 g/mol
LogP0.33
Rot. Bonds5

About N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110345397) has the molecular formula C14H22F3N3O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110345397
Molecular FormulaC14H22F3N3O4S
Molecular Weight385.41 g/mol
Exact Mass385.13
IUPAC NameN-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H22F3N3O4S/c15-14(16,17)13(22)19-8-3-11(4-9-19)12(21)18-5-10-25(23,24)20-6-1-2-7-20/h11H,1-10H2,(H,18,21)
InChIKeyYVONWNOSYFASCX-UHFFFAOYSA-N
XLogP0.33
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
1-(ethylsulfonyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)piperidine-3-carboxamide
CID 3237516
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3245033
1-(ethylsulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 4580597
1-((2-(2,6-dioxopiperidin-1-yl)ethyl)sulfonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 52417110
N-butyl-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 3469525
N-Butyl-1-(propane-1-sulfonyl)piperidine-4-carboxamide
CID 3559415
1-(isopropylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 52417111
N-[3-(dimethylamino)propyl]-1-(ethylsulfonyl)piperidine-4-carboxamide
CID 53278447

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110345397) is N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is O=C(NCCS(=O)(=O)N1CCCC1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is YVONWNOSYFASCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O4S/c15-14(16,17)13(22)19-8-3-11(4-9-19)12(21)18-5-10-25(23,24)20-6-1-2-7-20/h11H,1-10H2,(H,18,21).
What are the key properties of N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylsulfonylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110345397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).