3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea

C15H24FN3O2 — CID 131686917

IUPAC3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CC2(CCN(C(=O)C3(F)CC3)CC2)C1
InChIInChI=1S/C15H24FN3O2/c1-18(2)13(21)17-11-9-14(10-11)5-7-19(8-6-14)12(20)15(16)3-4-15/h11H,3-10H2,1-2H3,(H,17,21)
InChIKeyNQXZQHXHGFAITD-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.53
Rot. Bonds2

About 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea

3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea (PubChem CID 131686917) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
PubChem CID131686917
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CC2(CCN(C(=O)C3(F)CC3)CC2)C1
InChIInChI=1S/C15H24FN3O2/c1-18(2)13(21)17-11-9-14(10-11)5-7-19(8-6-14)12(20)15(16)3-4-15/h11H,3-10H2,1-2H3,(H,17,21)
InChIKeyNQXZQHXHGFAITD-UHFFFAOYSA-N
XLogP1.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea?
The IUPAC name of 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea (CID 131686917) is 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea is CN(C)C(=O)NC1CC2(CCN(C(=O)C3(F)CC3)CC2)C1.
What is the InChIKey of 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea?
The InChIKey is NQXZQHXHGFAITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-18(2)13(21)17-11-9-14(10-11)5-7-19(8-6-14)12(20)15(16)3-4-15/h11H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea?
3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea has a molecular weight of 297.37 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(1-fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea is sourced from PubChem (CID 131686917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).