2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide

C11H20F3N3O — CID 61218639

IUPAC2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide
SMILESCC(C)(NC1CCN(CC(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C11H20F3N3O/c1-10(2,9(15)18)16-8-3-5-17(6-4-8)7-11(12,13)14/h8,16H,3-7H2,1-2H3,(H2,15,18)
InChIKeyKQCAJUQGLFPIEW-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.87
Rot. Bonds4

About 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide

2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide (PubChem CID 61218639) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide
PubChem CID61218639
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide
SMILESCC(C)(NC1CCN(CC(F)(F)F)CC1)C(N)=O
InChIInChI=1S/C11H20F3N3O/c1-10(2,9(15)18)16-8-3-5-17(6-4-8)7-11(12,13)14/h8,16H,3-7H2,1-2H3,(H2,15,18)
InChIKeyKQCAJUQGLFPIEW-UHFFFAOYSA-N
XLogP0.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylazepan-4-yl)amino]-2-methylpropanamide
CID 65073333
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]benzamide
CID 119107058
2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanamide
CID 62968267
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434516
2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 122084249
2-amino-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 62968090
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43788499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide?
The IUPAC name of 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide (CID 61218639) is 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide?
The canonical SMILES for 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide is CC(C)(NC1CCN(CC(F)(F)F)CC1)C(N)=O.
What is the InChIKey of 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide?
The InChIKey is KQCAJUQGLFPIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-10(2,9(15)18)16-8-3-5-17(6-4-8)7-11(12,13)14/h8,16H,3-7H2,1-2H3,(H2,15,18).
What are the key properties of 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide?
2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide has a molecular weight of 267.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide is sourced from PubChem (CID 61218639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).