N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide

C8H13F3N2O2 — CID 174247751

IUPACN-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c1-12-7(14)13-4-2-6(3-5-13)15-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyGRSKRHNATBYRBJ-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.33
Rot. Bonds1

About N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide

N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide (PubChem CID 174247751) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide
PubChem CID174247751
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c1-12-7(14)13-4-2-6(3-5-13)15-8(9,10)11/h6H,2-5H2,1H3,(H,12,14)
InChIKeyGRSKRHNATBYRBJ-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide (CID 174247751) is N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide is CNC(=O)N1CCC(OC(F)(F)F)CC1.
What is the InChIKey of N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide?
The InChIKey is GRSKRHNATBYRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-12-7(14)13-4-2-6(3-5-13)15-8(9,10)11/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide?
N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 174247751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).