2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide

C13H23F3N2O — CID 43603389

IUPAC2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(C)C(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H23F3N2O/c1-3-4-10(2)12(19)18(9-13(14,15)16)11-5-7-17-8-6-11/h10-11,17H,3-9H2,1-2H3
InChIKeyXFFJXGHAXMIOIB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds5

About 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide

2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 43603389) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID43603389
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(C)C(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H23F3N2O/c1-3-4-10(2)12(19)18(9-13(14,15)16)11-5-7-17-8-6-11/h10-11,17H,3-9H2,1-2H3
InChIKeyXFFJXGHAXMIOIB-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-piperidin-4-yl-2-propylpentanamide
CID 82986952
N-(azetidin-3-yl)-N-ethyl-2-methylpentanamide
CID 66183175
N-pentan-2-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850232
2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 43604144
N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112602446
3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 43603425
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 76923868
N-(4-aminocyclohexyl)-N-ethyl-2-methylpentanamide
CID 79115926
3-methoxy-2-methyl-N-piperidin-4-yl-N-propylpropanamide
CID 119824204
N,2-diethyl-N-piperidin-4-ylhexanamide
CID 54923588
2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119823787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide (CID 43603389) is 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(C)C(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is XFFJXGHAXMIOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-4-10(2)12(19)18(9-13(14,15)16)11-5-7-17-8-6-11/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide?
2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 43603389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).