(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone

C18H24F2N2O3 — CID 164699456

IUPAC(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCOc1c(F)ccc(C(=O)N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)c1F
InChIInChI=1S/C18H24F2N2O3/c1-21-9-6-14(23)18(10-21)7-3-8-22(11-18)17(24)12-4-5-13(19)16(25-2)15(12)20/h4-5,14,23H,3,6-11H2,1-2H3/t14-,18-/m0/s1
InChIKeyAISRMIGOULFEPT-KSSFIOAISA-N
MW354.40 g/mol
LogP1.89
Rot. Bonds2

About (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone

(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 164699456) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Name(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID164699456
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCOc1c(F)ccc(C(=O)N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)c1F
InChIInChI=1S/C18H24F2N2O3/c1-21-9-6-14(23)18(10-21)7-3-8-22(11-18)17(24)12-4-5-13(19)16(25-2)15(12)20/h4-5,14,23H,3,6-11H2,1-2H3/t14-,18-/m0/s1
InChIKeyAISRMIGOULFEPT-KSSFIOAISA-N
XLogP1.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164693939
(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
CID 56758942
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 135093819
(4-ethoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164697904
(4aS,8aR)-6-(2,4-difluoro-3-methoxybenzoyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylic acid
CID 56902030
methyl 2-[3-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]anilino]acetate
CID 165421124
(2,4-difluoro-3-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56894129
[3-(dimethylamino)phenyl]-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164699031
2-(4-fluoroanilino)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]ethanone
CID 164689214
(3R)-8-(2,4-difluoro-3-methoxybenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95722543
(2,4-difluoro-3-methoxyphenyl)-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone
CID 95876102
[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 164696167

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone (CID 164699456) is (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone is COc1c(F)ccc(C(=O)N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)c1F.
What is the InChIKey of (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is AISRMIGOULFEPT-KSSFIOAISA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-21-9-6-14(23)18(10-21)7-3-8-22(11-18)17(24)12-4-5-13(19)16(25-2)15(12)20/h4-5,14,23H,3,6-11H2,1-2H3/t14-,18-/m0/s1.
What are the key properties of (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 354.40 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 164699456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).