N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide

C17H23F3N2O2 — CID 88678072

IUPACN-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide
SMILESCC(=O)N(OCc1ccccc1)C1CCN(CC(F)(F)F)CC1C
InChIInChI=1S/C17H23F3N2O2/c1-13-10-21(12-17(18,19)20)9-8-16(13)22(14(2)23)24-11-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3
InChIKeyCIPIGLSBRLTOSP-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.24
Rot. Bonds5

About N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide

N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide (PubChem CID 88678072) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide
PubChem CID88678072
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide
SMILESCC(=O)N(OCc1ccccc1)C1CCN(CC(F)(F)F)CC1C
InChIInChI=1S/C17H23F3N2O2/c1-13-10-21(12-17(18,19)20)9-8-16(13)22(14(2)23)24-11-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3
InChIKeyCIPIGLSBRLTOSP-UHFFFAOYSA-N
XLogP3.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide?
The IUPAC name of N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide (CID 88678072) is N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide.
What is the SMILES notation for N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide?
The canonical SMILES for N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide is CC(=O)N(OCc1ccccc1)C1CCN(CC(F)(F)F)CC1C.
What is the InChIKey of N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide?
The InChIKey is CIPIGLSBRLTOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-13-10-21(12-17(18,19)20)9-8-16(13)22(14(2)23)24-11-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide?
N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide has a molecular weight of 344.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-phenylmethoxyacetamide is sourced from PubChem (CID 88678072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).