2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

C19H26FN3O2 — CID 97493780

IUPAC2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)CCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H26FN3O2/c1-21(2)18(25)14-23-17(24)7-8-19(23)9-11-22(12-10-19)13-15-3-5-16(20)6-4-15/h3-6H,7-14H2,1-2H3
InChIKeySMORBJULQRLTDA-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.87
Rot. Bonds4

About 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (PubChem CID 97493780) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
PubChem CID97493780
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)CCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H26FN3O2/c1-21(2)18(25)14-23-17(24)7-8-19(23)9-11-22(12-10-19)13-15-3-5-16(20)6-4-15/h3-6H,7-14H2,1-2H3
InChIKeySMORBJULQRLTDA-UHFFFAOYSA-N
XLogP1.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (CID 97493780) is 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)CCC12CCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The InChIKey is SMORBJULQRLTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21(2)18(25)14-23-17(24)7-8-19(23)9-11-22(12-10-19)13-15-3-5-16(20)6-4-15/h3-6H,7-14H2,1-2H3.
What are the key properties of 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide has a molecular weight of 347.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(4-fluorophenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97493780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).