2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3N3O — CID 107163532

IUPAC2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN1CCC(C)(CNCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O/c1-11(3-5-18(2)6-4-11)8-16-7-10(19)17-9-12(13,14)15/h16H,3-9H2,1-2H3,(H,17,19)
InChIKeyHIUHDQSGGCBLSA-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.99
Rot. Bonds5

About 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107163532) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107163532
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN1CCC(C)(CNCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O/c1-11(3-5-18(2)6-4-11)8-16-7-10(19)17-9-12(13,14)15/h16H,3-9H2,1-2H3,(H,17,19)
InChIKeyHIUHDQSGGCBLSA-UHFFFAOYSA-N
XLogP0.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 107163532) is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN1CCC(C)(CNCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HIUHDQSGGCBLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-11(3-5-18(2)6-4-11)8-16-7-10(19)17-9-12(13,14)15/h16H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107163532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).