N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide

C13H24F3N3O — CID 81343649

IUPACN,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-18(2)12(20)10-19-8-4-11(5-9-19)17-7-3-6-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyNWFDGOHXIBPGSC-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.47
Rot. Bonds6

About N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide (PubChem CID 81343649) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide
PubChem CID81343649
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC NameN,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-18(2)12(20)10-19-8-4-11(5-9-19)17-7-3-6-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyNWFDGOHXIBPGSC-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43770571
5-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]pentanamide
CID 106233558
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
CID 115566789
2-[4-(2-aminoethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 60887213
2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 103903646
2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 103905502
2-[4-[(2-hydroxy-2-methylpropyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 65103485
2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 113303615
N,N-dimethyl-2-[4-(2-sulfamoylethylamino)piperidin-1-yl]acetamide
CID 43777289
N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide
CID 116643187
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
CID 103522748

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide (CID 81343649) is N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide is CN(C)C(=O)CN1CCC(NCCCC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide?
The InChIKey is NWFDGOHXIBPGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-18(2)12(20)10-19-8-4-11(5-9-19)17-7-3-6-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(4,4,4-trifluorobutylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 81343649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).