N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

C15H22F3N5O — CID 126774252

IUPACN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ncn(C2CCCCC2)n1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)11-5-4-8-22(9-11)14(24)20-13-19-10-23(21-13)12-6-2-1-3-7-12/h10-12H,1-9H2,(H,20,21,24)
InChIKeyMFPPZKYFXYSXJP-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.59
Rot. Bonds2

About N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide

N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 126774252) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID126774252
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ncn(C2CCCCC2)n1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)11-5-4-8-22(9-11)14(24)20-13-19-10-23(21-13)12-6-2-1-3-7-12/h10-12H,1-9H2,(H,20,21,24)
InChIKeyMFPPZKYFXYSXJP-UHFFFAOYSA-N
XLogP3.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide (CID 126774252) is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is O=C(Nc1ncn(C2CCCCC2)n1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is MFPPZKYFXYSXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c16-15(17,18)11-5-4-8-22(9-11)14(24)20-13-19-10-23(21-13)12-6-2-1-3-7-12/h10-12H,1-9H2,(H,20,21,24).
What are the key properties of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide?
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126774252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).