N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide

C12H22F3N3O — CID 104926671

IUPACN-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide
SMILESCCN(C)C(=O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O/c1-3-17(2)11(19)8-16-10-4-6-18(7-5-10)9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyUADNAMIKEOQKDC-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.08
Rot. Bonds5

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

N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide (PubChem CID 104926671) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide
PubChem CID104926671
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC NameN-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide
SMILESCCN(C)C(=O)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O/c1-3-17(2)11(19)8-16-10-4-6-18(7-5-10)9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyUADNAMIKEOQKDC-UHFFFAOYSA-N
XLogP1.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 104926640
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]piperidine-1-carboxamide
CID 104923445
2-(cyclooctylamino)-N-ethyl-N-methylacetamide
CID 43309596
2-[(4-tert-butylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 104923581
1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone
CID 115709475
N,N-diethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetamide
CID 103779036
N,N-dimethyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
CID 106335729
N,N,2,2-tetramethyl-N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propane-1,3-diamine
CID 43758940
N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine
CID 62975551
methyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60782427
N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82709542
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide (CID 104926671) is N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide is CCN(C)C(=O)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide?
The InChIKey is UADNAMIKEOQKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-3-17(2)11(19)8-16-10-4-6-18(7-5-10)9-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide?
N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide is sourced from PubChem (CID 104926671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).