(6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

C17H22F2N2O2 — CID 164698502

IUPAC(6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1ccc(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c(F)c1F
InChIInChI=1S/C17H22F2N2O2/c1-11-3-4-12(15(19)14(11)18)9-21-8-5-13(22)17(10-21)6-2-7-20-16(17)23/h3-4,13,22H,2,5-10H2,1H3,(H,20,23)/t13-,17+/m0/s1
InChIKeyOJPLKSBSGKGFHG-SUMWQHHRSA-N
MW324.37 g/mol
LogP1.74
Rot. Bonds2

About (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164698502) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164698502
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name(6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1ccc(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c(F)c1F
InChIInChI=1S/C17H22F2N2O2/c1-11-3-4-12(15(19)14(11)18)9-21-8-5-13(22)17(10-21)6-2-7-20-16(17)23/h3-4,13,22H,2,5-10H2,1H3,(H,20,23)/t13-,17+/m0/s1
InChIKeyOJPLKSBSGKGFHG-SUMWQHHRSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 164698502) is (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is Cc1ccc(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c(F)c1F.
What is the InChIKey of (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is OJPLKSBSGKGFHG-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-11-3-4-12(15(19)14(11)18)9-21-8-5-13(22)17(10-21)6-2-7-20-16(17)23/h3-4,13,22H,2,5-10H2,1H3,(H,20,23)/t13-,17+/m0/s1.
What are the key properties of (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 324.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164698502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).