8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one

C16H20F2N2O — CID 42379416

IUPAC8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C16H20F2N2O/c1-19-15(21)5-6-16(19)7-9-20(10-8-16)11-12-13(17)3-2-4-14(12)18/h2-4H,5-11H2,1H3
InChIKeyMZDCPGIRNHEMSI-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.55
Rot. Bonds2

About 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one

8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 42379416) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID42379416
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C16H20F2N2O/c1-19-15(21)5-6-16(19)7-9-20(10-8-16)11-12-13(17)3-2-4-14(12)18/h2-4H,5-11H2,1H3
InChIKeyMZDCPGIRNHEMSI-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one (CID 42379416) is 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CCC12CCN(Cc1c(F)cccc1F)CC2.
What is the InChIKey of 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MZDCPGIRNHEMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-19-15(21)5-6-16(19)7-9-20(10-8-16)11-12-13(17)3-2-4-14(12)18/h2-4H,5-11H2,1H3.
What are the key properties of 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 294.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 42379416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).