8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one

C19H26FN3O2 — CID 10783864

IUPAC8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C19H26FN3O2/c1-21-14-22(2)19(18(21)25)9-12-23(13-10-19)11-3-4-17(24)15-5-7-16(20)8-6-15/h5-8H,3-4,9-14H2,1-2H3
InChIKeyUEBHJYBPNYHDCW-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.98
Rot. Bonds5

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

8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10783864) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10783864
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C19H26FN3O2/c1-21-14-22(2)19(18(21)25)9-12-23(13-10-19)11-3-4-17(24)15-5-7-16(20)8-6-15/h5-8H,3-4,9-14H2,1-2H3
InChIKeyUEBHJYBPNYHDCW-UHFFFAOYSA-N
XLogP1.98
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 10783864) is 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one is CN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is UEBHJYBPNYHDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21-14-22(2)19(18(21)25)9-12-23(13-10-19)11-3-4-17(24)15-5-7-16(20)8-6-15/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 347.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10783864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).