N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C15H23F3N4O2 — CID 84597978

IUPACN-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H23F3N4O2/c1-14(2,24-3)10-19-13(23)21-7-4-11(5-8-21)22-9-6-12(20-22)15(16,17)18/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,19,23)
InChIKeyKCMDUIKSPQDJML-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.67
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 84597978) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID84597978
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC NameN-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H23F3N4O2/c1-14(2,24-3)10-19-13(23)21-7-4-11(5-8-21)22-9-6-12(20-22)15(16,17)18/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,19,23)
InChIKeyKCMDUIKSPQDJML-UHFFFAOYSA-N
XLogP2.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 84597978) is N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is COC(C)(C)CNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is KCMDUIKSPQDJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-14(2,24-3)10-19-13(23)21-7-4-11(5-8-21)22-9-6-12(20-22)15(16,17)18/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,19,23).
What are the key properties of N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 84597978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).