7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C14H16F2N4O2 — CID 131694806

IUPAC7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CN(C(=O)c3ncccn3)CC(F)(F)C2)C1=O
InChIInChI=1S/C14H16F2N4O2/c1-19-6-3-13(12(19)22)7-14(15,16)9-20(8-13)11(21)10-17-4-2-5-18-10/h2,4-5H,3,6-9H2,1H3
InChIKeyCHVCGTKHJKDKLM-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.81
Rot. Bonds1

About 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131694806) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131694806
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CN(C(=O)c3ncccn3)CC(F)(F)C2)C1=O
InChIInChI=1S/C14H16F2N4O2/c1-19-6-3-13(12(19)22)7-14(15,16)9-20(8-13)11(21)10-17-4-2-5-18-10/h2,4-5H,3,6-9H2,1H3
InChIKeyCHVCGTKHJKDKLM-UHFFFAOYSA-N
XLogP0.81
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131694991
7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 131695127
2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131688867
7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 131694475
3-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-2-carboxylic acid
CID 175867076
10,10-difluoro-8-(1-methylimidazole-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 155852321
7,7-difluoro-9-(1-methylindazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131695166
(4-propan-2-ylpiperidin-1-yl)-pyrimidin-2-ylmethanone
CID 118902078
7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131695009
8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 131661241
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658
2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 119059917

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131694806) is 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is CN1CCC2(CN(C(=O)c3ncccn3)CC(F)(F)C2)C1=O.
What is the InChIKey of 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is CHVCGTKHJKDKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c1-19-6-3-13(12(19)22)7-14(15,16)9-20(8-13)11(21)10-17-4-2-5-18-10/h2,4-5H,3,6-9H2,1H3.
What are the key properties of 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 310.30 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131694806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).