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

C9H13F3N2O2 — CID 62735050

IUPACN-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O2/c1-13-7(15)6-2-4-14(5-3-6)8(16)9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyMSPZUPLRUIXUEF-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.53
Rot. Bonds1

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

N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 62735050) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID62735050
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O2/c1-13-7(15)6-2-4-14(5-3-6)8(16)9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyMSPZUPLRUIXUEF-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-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-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 62735050) is N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is MSPZUPLRUIXUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-13-7(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-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 238.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 62735050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).