9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

C18H22F2N2O3 — CID 72935399

IUPAC9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(F)c(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)c(F)c1
InChIInChI=1S/C18H22F2N2O3/c1-21-11-18(4-3-15(21)23)5-7-22(8-6-18)17(24)16-13(19)9-12(25-2)10-14(16)20/h9-10H,3-8,11H2,1-2H3
InChIKeySXUOMSPNWPSAEH-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.45
Rot. Bonds2

About 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72935399) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72935399
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(F)c(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)c(F)c1
InChIInChI=1S/C18H22F2N2O3/c1-21-11-18(4-3-15(21)23)5-7-22(8-6-18)17(24)16-13(19)9-12(25-2)10-14(16)20/h9-10H,3-8,11H2,1-2H3
InChIKeySXUOMSPNWPSAEH-UHFFFAOYSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3,5-dimethoxybenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72837618
2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 77092196
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625
9-(3-fluoro-4-methylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72906926
2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861143
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72886047
(2S)-2-[9-(3-methoxybenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97124570
9-[2-fluoro-5-(pyrrolidin-3-ylmethyl)benzoyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 171711095
9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97133136
3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 56714078
(2R)-2-[9-(3,4-difluorobenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97129822

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72935399) is 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is COc1cc(F)c(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)c(F)c1.
What is the InChIKey of 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SXUOMSPNWPSAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-21-11-18(4-3-15(21)23)5-7-22(8-6-18)17(24)16-13(19)9-12(25-2)10-14(16)20/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 352.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72935399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).