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

C16H23F3N4O — CID 75448759

IUPACN-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CCC1
InChIInChI=1S/C16H23F3N4O/c1-11(12-3-2-4-12)20-15(24)22-8-5-13(6-9-22)23-10-7-14(21-23)16(17,18)19/h7,10-13H,2-6,8-9H2,1H3,(H,20,24)
InChIKeyLMIKCMZBMOLTIC-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.44
Rot. Bonds3

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

N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 75448759) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID75448759
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CCC1
InChIInChI=1S/C16H23F3N4O/c1-11(12-3-2-4-12)20-15(24)22-8-5-13(6-9-22)23-10-7-14(21-23)16(17,18)19/h7,10-13H,2-6,8-9H2,1H3,(H,20,24)
InChIKeyLMIKCMZBMOLTIC-UHFFFAOYSA-N
XLogP3.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 75448759) is N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is LMIKCMZBMOLTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-11(12-3-2-4-12)20-15(24)22-8-5-13(6-9-22)23-10-7-14(21-23)16(17,18)19/h7,10-13H,2-6,8-9H2,1H3,(H,20,24).
What are the key properties of N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75448759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).