3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide

C13H23F3N4O2 — CID 71868030

IUPAC3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H23F3N4O2/c1-18(2)10-5-4-6-20(8-10)12(22)17-7-11(21)19(3)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,22)
InChIKeyDFNACROJMABOIN-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.74
Rot. Bonds4

About 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide

3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 71868030) has the molecular formula C13H23F3N4O2 and a molecular weight of 324.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide
PubChem CID71868030
Molecular FormulaC13H23F3N4O2
Molecular Weight324.35 g/mol
Exact Mass324.18
IUPAC Name3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H23F3N4O2/c1-18(2)10-5-4-6-20(8-10)12(22)17-7-11(21)19(3)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,22)
InChIKeyDFNACROJMABOIN-UHFFFAOYSA-N
XLogP0.74
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide (CID 71868030) is 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide is CN(CC(F)(F)F)C(=O)CNC(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is DFNACROJMABOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O2/c1-18(2)10-5-4-6-20(8-10)12(22)17-7-11(21)19(3)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,22).
What are the key properties of 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide?
3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71868030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).