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

C11H20F3N3O — CID 43755049

IUPACN,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-16(2)10(18)7-17-5-3-9(4-6-17)15-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyJOUMRHPFIFMVEX-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.69
Rot. Bonds4

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

N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide (PubChem CID 43755049) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide
PubChem CID43755049
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC NameN,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-16(2)10(18)7-17-5-3-9(4-6-17)15-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyJOUMRHPFIFMVEX-UHFFFAOYSA-N
XLogP0.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide (CID 43755049) is N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide is CN(C)C(=O)CN1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide?
The InChIKey is JOUMRHPFIFMVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-16(2)10(18)7-17-5-3-9(4-6-17)15-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 0.69, 4 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-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 43755049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).