8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one

C16H26F3N3O2 — CID 162550910

IUPAC8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(CCC(F)(F)F)C12CCN([C@@H]1CCCCC1O)CC2
InChIInChI=1S/C16H26F3N3O2/c17-16(18,19)7-10-22-11-20-14(24)15(22)5-8-21(9-6-15)12-3-1-2-4-13(12)23/h12-13,23H,1-11H2,(H,20,24)/t12-,13?/m1/s1
InChIKeyJROHNNJBTAJKNM-PZORYLMUSA-N
MW349.40 g/mol
LogP1.47
Rot. Bonds3

About 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 162550910) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID162550910
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(CCC(F)(F)F)C12CCN([C@@H]1CCCCC1O)CC2
InChIInChI=1S/C16H26F3N3O2/c17-16(18,19)7-10-22-11-20-14(24)15(22)5-8-21(9-6-15)12-3-1-2-4-13(12)23/h12-13,23H,1-11H2,(H,20,24)/t12-,13?/m1/s1
InChIKeyJROHNNJBTAJKNM-PZORYLMUSA-N
XLogP1.47
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 162550910) is 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(CCC(F)(F)F)C12CCN([C@@H]1CCCCC1O)CC2.
What is the InChIKey of 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is JROHNNJBTAJKNM-PZORYLMUSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c17-16(18,19)7-10-22-11-20-14(24)15(22)5-8-21(9-6-15)12-3-1-2-4-13(12)23/h12-13,23H,1-11H2,(H,20,24)/t12-,13?/m1/s1.
What are the key properties of 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 349.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-2-hydroxycyclohexyl]-1-(3,3,3-trifluoropropyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 162550910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).