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

C13H24F3N3O — CID 56788082

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)CC1CCN(CC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-17(2)8-11-4-6-19(7-5-11)9-12(20)18(3)10-13(14,15)16/h11H,4-10H2,1-3H3
InChIKeyLULDPXUJVCMTAK-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.28
Rot. Bonds5

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

2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56788082) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56788082
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(C)CC1CCN(CC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-17(2)8-11-4-6-19(7-5-11)9-12(20)18(3)10-13(14,15)16/h11H,4-10H2,1-3H3
InChIKeyLULDPXUJVCMTAK-UHFFFAOYSA-N
XLogP1.28
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 56788082) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(C)CC1CCN(CC(=O)N(C)CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LULDPXUJVCMTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-17(2)8-11-4-6-19(7-5-11)9-12(20)18(3)10-13(14,15)16/h11H,4-10H2,1-3H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56788082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).