2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C13H24F3N3O — CID 63847538

IUPAC2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCNCC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-2-5-17-8-11-3-6-19(7-4-11)9-12(20)18-10-13(14,15)16/h11,17H,2-10H2,1H3,(H,18,20)
InChIKeyHAXVBSWBPUMIBS-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.38
Rot. Bonds7

About 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63847538) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63847538
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCNCC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-2-5-17-8-11-3-6-19(7-4-11)9-12(20)18-10-13(14,15)16/h11,17H,2-10H2,1H3,(H,18,20)
InChIKeyHAXVBSWBPUMIBS-UHFFFAOYSA-N
XLogP1.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione
CID 16745942
4-(2-Amino-4-methylpentyl)-6-(2-methylpropyl)piperazin-2-one
CID 44385949
N1-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751077
N1-((1-cyclopentylpiperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751134
(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 53299341
4-[2-[Cyclobutylmethyl(2,2,2-trifluoroethyl)amino]acetyl]piperazin-2-one
CID 71861818
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 71869797
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71985645
N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 84598921
2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
CID 17998885

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 63847538) is 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCCNCC1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HAXVBSWBPUMIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-2-5-17-8-11-3-6-19(7-4-11)9-12(20)18-10-13(14,15)16/h11,17H,2-10H2,1H3,(H,18,20).
What are the key properties of 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63847538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).