N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide

C13H24F3N3O — CID 102736014

IUPACN-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCCC(N)C(N1CCC(CNC(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C13H24F3N3O/c1-3-11(17)12(13(14,15)16)19-6-4-10(5-7-19)8-18-9(2)20/h10-12H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyYPBGNSAJHOHQQL-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.50
Rot. Bonds5

About N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736014) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide
PubChem CID102736014
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC NameN-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCCC(N)C(N1CCC(CNC(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C13H24F3N3O/c1-3-11(17)12(13(14,15)16)19-6-4-10(5-7-19)8-18-9(2)20/h10-12H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyYPBGNSAJHOHQQL-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
CID 112624471
1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide
CID 114081754
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide
CID 103931700
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide
CID 119806640
N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide
CID 102736157
N-[[1-[2-amino-1-(5-bromothiophen-2-yl)propyl]piperidin-4-yl]methyl]acetamide
CID 102736048
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide
CID 119746034
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide;hydrochloride
CID 119806639

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide (CID 102736014) is N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide is CCC(N)C(N1CCC(CNC(C)=O)CC1)C(F)(F)F.
What is the InChIKey of N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is YPBGNSAJHOHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-3-11(17)12(13(14,15)16)19-6-4-10(5-7-19)8-18-9(2)20/h10-12H,3-8,17H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).