6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane

C23H34F3N5O2 — CID 170057462

IUPAC6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)C1(COC2CCN(COCN3CC4(CC(c5n[nH]c(C6CC6)n5)C4)C3)CC2)CC1
InChIInChI=1S/C23H34F3N5O2/c24-23(25,26)22(5-6-22)13-33-18-3-7-30(8-4-18)14-32-15-31-11-21(12-31)9-17(10-21)20-27-19(28-29-20)16-1-2-16/h16-18H,1-15H2,(H,27,28,29)
InChIKeyPCRGKFYIVHIVAC-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.62
Rot. Bonds9

About 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane

6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane (PubChem CID 170057462) has the molecular formula C23H34F3N5O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane
PubChem CID170057462
Molecular FormulaC23H34F3N5O2
Molecular Weight469.55 g/mol
Exact Mass469.27
IUPAC Name6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane
SMILESFC(F)(F)C1(COC2CCN(COCN3CC4(CC(c5n[nH]c(C6CC6)n5)C4)C3)CC2)CC1
InChIInChI=1S/C23H34F3N5O2/c24-23(25,26)22(5-6-22)13-33-18-3-7-30(8-4-18)14-32-15-31-11-21(12-31)9-17(10-21)20-27-19(28-29-20)16-1-2-16/h16-18H,1-15H2,(H,27,28,29)
InChIKeyPCRGKFYIVHIVAC-UHFFFAOYSA-N
XLogP3.62
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane (CID 170057462) is 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane is FC(F)(F)C1(COC2CCN(COCN3CC4(CC(c5n[nH]c(C6CC6)n5)C4)C3)CC2)CC1.
What is the InChIKey of 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane?
The InChIKey is PCRGKFYIVHIVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N5O2/c24-23(25,26)22(5-6-22)13-33-18-3-7-30(8-4-18)14-32-15-31-11-21(12-31)9-17(10-21)20-27-19(28-29-20)16-1-2-16/h16-18H,1-15H2,(H,27,28,29).
What are the key properties of 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane?
6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane has a molecular weight of 469.55 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]piperidin-1-yl]methoxymethyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170057462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).