N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C9H13F3N2O3 — CID 110423368

IUPACN-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCONC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O3/c1-17-13-7(15)6-2-4-14(5-3-6)8(16)9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyRWMKAHFPFKBHLN-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.46
Rot. Bonds2

About N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110423368) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110423368
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC NameN-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCONC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O3/c1-17-13-7(15)6-2-4-14(5-3-6)8(16)9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyRWMKAHFPFKBHLN-UHFFFAOYSA-N
XLogP0.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110423368) is N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CONC(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is RWMKAHFPFKBHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-17-13-7(15)6-2-4-14(5-3-6)8(16)9(10,11)12/h6H,2-5H2,1H3,(H,13,15).
What are the key properties of N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 254.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110423368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).