7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C16H22F2N4O3 — CID 131695118

IUPAC7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CN(C(=O)c3cnc(C)[nH]3)CC(F)(F)C2)C1=O
InChIInChI=1S/C16H22F2N4O3/c1-11-19-7-12(20-11)13(23)22-9-15(8-16(17,18)10-22)3-4-21(14(15)24)5-6-25-2/h7H,3-6,8-10H2,1-2H3,(H,19,20)
InChIKeyLPZMWHQRWQGWAK-UHFFFAOYSA-N
MW356.37 g/mol
LogP1.06
Rot. Bonds4

About 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695118) has the molecular formula C16H22F2N4O3 and a molecular weight of 356.37 g/mol. Its IUPAC name is 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695118
Molecular FormulaC16H22F2N4O3
Molecular Weight356.37 g/mol
Exact Mass356.17
IUPAC Name7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CN(C(=O)c3cnc(C)[nH]3)CC(F)(F)C2)C1=O
InChIInChI=1S/C16H22F2N4O3/c1-11-19-7-12(20-11)13(23)22-9-15(8-16(17,18)10-22)3-4-21(14(15)24)5-6-25-2/h7H,3-6,8-10H2,1-2H3,(H,19,20)
InChIKeyLPZMWHQRWQGWAK-UHFFFAOYSA-N
XLogP1.06
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131695118) is 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CN(C(=O)c3cnc(C)[nH]3)CC(F)(F)C2)C1=O.
What is the InChIKey of 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is LPZMWHQRWQGWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O3/c1-11-19-7-12(20-11)13(23)22-9-15(8-16(17,18)10-22)3-4-21(14(15)24)5-6-25-2/h7H,3-6,8-10H2,1-2H3,(H,19,20).
What are the key properties of 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 356.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-(2-methoxyethyl)-9-(2-methyl-1H-imidazole-5-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).