N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide

C11H19F3N2O2 — CID 103206365

IUPACN-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(C(=O)CCOCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C11H19F3N2O2/c1-16(9-3-2-5-15-7-9)10(17)4-6-18-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyQGNBPRBRTPPTIE-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.17
Rot. Bonds5

About N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide

N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103206365) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103206365
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(C(=O)CCOCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C11H19F3N2O2/c1-16(9-3-2-5-15-7-9)10(17)4-6-18-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyQGNBPRBRTPPTIE-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103206365) is N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide is CN(C(=O)CCOCC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QGNBPRBRTPPTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-16(9-3-2-5-15-7-9)10(17)4-6-18-8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide?
N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103206365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).