(6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one

C17H19F3N2O3 — CID 163314836

IUPAC(6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)12-4-2-11(3-5-12)14(24)22-9-6-13(23)16(10-22)7-1-8-21-15(16)25/h2-5,13,23H,1,6-10H2,(H,21,25)/t13-,16-/m1/s1
InChIKeyZYWSPGRIWMBTBU-CZUORRHYSA-N
MW356.34 g/mol
LogP1.81
Rot. Bonds1

About (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one

(6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 163314836) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID163314836
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name(6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)12-4-2-11(3-5-12)14(24)22-9-6-13(23)16(10-22)7-1-8-21-15(16)25/h2-5,13,23H,1,6-10H2,(H,21,25)/t13-,16-/m1/s1
InChIKeyZYWSPGRIWMBTBU-CZUORRHYSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R,11S)-8-(4-chloro-3-methylbenzoyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164692516
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471
(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164689776
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(6R,11S)-11-hydroxy-8-(1,2,5-trimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700356
(6R,11R)-8-[2-(4-fluorophenoxy)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691057
(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164699891
(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164688259
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 103727414
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164695097
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469

Frequently Asked Questions

What is the IUPAC name of (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 163314836) is (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one is O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is ZYWSPGRIWMBTBU-CZUORRHYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c18-17(19,20)12-4-2-11(3-5-12)14(24)22-9-6-13(23)16(10-22)7-1-8-21-15(16)25/h2-5,13,23H,1,6-10H2,(H,21,25)/t13-,16-/m1/s1.
What are the key properties of (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 356.34 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 163314836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).