2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide

C19H26FN3O2 — CID 97392326

IUPAC2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide
SMILESC[C@H]1CN(Cc2cccc(F)c2)C[C@@]12CCN(CC(=O)N(C)C)C2=O
InChIInChI=1S/C19H26FN3O2/c1-14-10-22(11-15-5-4-6-16(20)9-15)13-19(14)7-8-23(18(19)25)12-17(24)21(2)3/h4-6,9,14H,7-8,10-13H2,1-3H3/t14-,19-/m0/s1
InChIKeyLXYBPMJWPXNLIT-LIRRHRJNSA-N
MW347.43 g/mol
LogP1.58
Rot. Bonds4

About 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide

2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide (PubChem CID 97392326) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide
PubChem CID97392326
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide
SMILESC[C@H]1CN(Cc2cccc(F)c2)C[C@@]12CCN(CC(=O)N(C)C)C2=O
InChIInChI=1S/C19H26FN3O2/c1-14-10-22(11-15-5-4-6-16(20)9-15)13-19(14)7-8-23(18(19)25)12-17(24)21(2)3/h4-6,9,14H,7-8,10-13H2,1-3H3/t14-,19-/m0/s1
InChIKeyLXYBPMJWPXNLIT-LIRRHRJNSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide (CID 97392326) is 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide is C[C@H]1CN(Cc2cccc(F)c2)C[C@@]12CCN(CC(=O)N(C)C)C2=O.
What is the InChIKey of 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide?
The InChIKey is LXYBPMJWPXNLIT-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-14-10-22(11-15-5-4-6-16(20)9-15)13-19(14)7-8-23(18(19)25)12-17(24)21(2)3/h4-6,9,14H,7-8,10-13H2,1-3H3/t14-,19-/m0/s1.
What are the key properties of 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide?
2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide has a molecular weight of 347.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97392326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).