7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one

C19H24F2N2O2 — CID 131694991

IUPAC7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1CCC(=O)N1CC(F)(F)CC2(CCN(C)C2=O)C1
InChIInChI=1S/C19H24F2N2O2/c1-14-5-3-4-6-15(14)7-8-16(24)23-12-18(11-19(20,21)13-23)9-10-22(2)17(18)25/h3-6H,7-13H2,1-2H3
InChIKeyVRJXBQPYCOPICV-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.64
Rot. Bonds3

About 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131694991) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131694991
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1CCC(=O)N1CC(F)(F)CC2(CCN(C)C2=O)C1
InChIInChI=1S/C19H24F2N2O2/c1-14-5-3-4-6-15(14)7-8-16(24)23-12-18(11-19(20,21)13-23)9-10-22(2)17(18)25/h3-6H,7-13H2,1-2H3
InChIKeyVRJXBQPYCOPICV-UHFFFAOYSA-N
XLogP2.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131694806
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 120809227
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
2-fluoro-2-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]acetic acid
CID 166317343
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one
CID 110709033
7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 131694475
1-(4-chloro-3-methylpiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114683007
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one;hydrochloride
CID 119520075
1-[(8R)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-3-(2-methylphenyl)propan-1-one
CID 124814884
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131694991) is 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1ccccc1CCC(=O)N1CC(F)(F)CC2(CCN(C)C2=O)C1.
What is the InChIKey of 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is VRJXBQPYCOPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-14-5-3-4-6-15(14)7-8-16(24)23-12-18(11-19(20,21)13-23)9-10-22(2)17(18)25/h3-6H,7-13H2,1-2H3.
What are the key properties of 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 350.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131694991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).