1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide

C16H27F3N2O3 — CID 86928855

IUPAC1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O3/c1-15(2,3)14(23)21-8-5-12(6-9-21)13(22)20-7-4-10-24-11-16(17,18)19/h12H,4-11H2,1-3H3,(H,20,22)
InChIKeyUMCPHHWILOFNEC-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.36
Rot. Bonds6

About 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide (PubChem CID 86928855) has the molecular formula C16H27F3N2O3 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide
PubChem CID86928855
Molecular FormulaC16H27F3N2O3
Molecular Weight352.40 g/mol
Exact Mass352.20
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O3/c1-15(2,3)14(23)21-8-5-12(6-9-21)13(22)20-7-4-10-24-11-16(17,18)19/h12H,4-11H2,1-3H3,(H,20,22)
InChIKeyUMCPHHWILOFNEC-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.36
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 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide (CID 86928855) is 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)NCCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide?
The InChIKey is UMCPHHWILOFNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O3/c1-15(2,3)14(23)21-8-5-12(6-9-21)13(22)20-7-4-10-24-11-16(17,18)19/h12H,4-11H2,1-3H3,(H,20,22).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 86928855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).