N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride

C11H19ClF3N3O2 — CID 120828583

IUPACN-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCC(C(F)(F)F)NC1=O.Cl
InChIInChI=1S/C11H18F3N3O2.ClH/c1-6(15-2)5-16-9(18)7-3-4-8(11(12,13)14)17-10(7)19;/h6-8,15H,3-5H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyZVDVGBUIPSEAHO-UHFFFAOYSA-N
MW317.74 g/mol
LogP0.59
Rot. Bonds4

About N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride

N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120828583) has the molecular formula C11H19ClF3N3O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID120828583
Molecular FormulaC11H19ClF3N3O2
Molecular Weight317.74 g/mol
Exact Mass317.11
IUPAC NameN-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCC(C(F)(F)F)NC1=O.Cl
InChIInChI=1S/C11H18F3N3O2.ClH/c1-6(15-2)5-16-9(18)7-3-4-8(11(12,13)14)17-10(7)19;/h6-8,15H,3-5H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyZVDVGBUIPSEAHO-UHFFFAOYSA-N
XLogP0.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride (CID 120828583) is N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride is CNC(C)CNC(=O)C1CCC(C(F)(F)F)NC1=O.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is ZVDVGBUIPSEAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2.ClH/c1-6(15-2)5-16-9(18)7-3-4-8(11(12,13)14)17-10(7)19;/h6-8,15H,3-5H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 317.74 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120828583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).