3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one

C14H18FN3O — CID 146415369

IUPAC3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C14H18FN3O/c1-17-8-6-14(7-9-17)10-18(13(19)16-14)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,19)
InChIKeyMYWWKCXYDBSXPB-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.82
Rot. Bonds1

About 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one

3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 146415369) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID146415369
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C14H18FN3O/c1-17-8-6-14(7-9-17)10-18(13(19)16-14)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,19)
InChIKeyMYWWKCXYDBSXPB-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 146415369) is 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one is CN1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2.
What is the InChIKey of 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is MYWWKCXYDBSXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-17-8-6-14(7-9-17)10-18(13(19)16-14)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,16,19).
What are the key properties of 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one?
3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-methyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 146415369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).