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

C16H25F3N4O — CID 75448756

IUPACN-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(C)CC(C)NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H25F3N4O/c1-11(2)10-12(3)20-15(24)22-7-4-13(5-8-22)23-9-6-14(21-23)16(17,18)19/h6,9,11-13H,4-5,7-8,10H2,1-3H3,(H,20,24)
InChIKeyWXATWUSLKIRYER-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.68
Rot. Bonds4

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

N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 75448756) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID75448756
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC NameN-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(C)CC(C)NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H25F3N4O/c1-11(2)10-12(3)20-15(24)22-7-4-13(5-8-22)23-9-6-14(21-23)16(17,18)19/h6,9,11-13H,4-5,7-8,10H2,1-3H3,(H,20,24)
InChIKeyWXATWUSLKIRYER-UHFFFAOYSA-N
XLogP3.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 75448756) is N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is CC(C)CC(C)NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is WXATWUSLKIRYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-11(2)10-12(3)20-15(24)22-7-4-13(5-8-22)23-9-6-14(21-23)16(17,18)19/h6,9,11-13H,4-5,7-8,10H2,1-3H3,(H,20,24).
What are the key properties of N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75448756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).