9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

C20H32FN3O2 — CID 131685038

IUPAC9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(C)CN1CC2(CCN(C(=O)C3(F)CC3)CC2)C2(CCN(C)C2=O)C1
InChIInChI=1S/C20H32FN3O2/c1-15(2)12-23-13-18(19(14-23)8-9-22(3)16(19)25)6-10-24(11-7-18)17(26)20(21)4-5-20/h15H,4-14H2,1-3H3
InChIKeyFFLZBCSXYGHELH-UHFFFAOYSA-N
MW365.49 g/mol
LogP1.92
Rot. Bonds3

About 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (PubChem CID 131685038) has the molecular formula C20H32FN3O2 and a molecular weight of 365.49 g/mol. Its IUPAC name is 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.

Molecular Properties

Compound Name9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
PubChem CID131685038
Molecular FormulaC20H32FN3O2
Molecular Weight365.49 g/mol
Exact Mass365.25
IUPAC Name9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCC(C)CN1CC2(CCN(C(=O)C3(F)CC3)CC2)C2(CCN(C)C2=O)C1
InChIInChI=1S/C20H32FN3O2/c1-15(2)12-23-13-18(19(14-23)8-9-22(3)16(19)25)6-10-24(11-7-18)17(26)20(21)4-5-20/h15H,4-14H2,1-3H3
InChIKeyFFLZBCSXYGHELH-UHFFFAOYSA-N
XLogP1.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The IUPAC name of 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (CID 131685038) is 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.
What is the SMILES notation for 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The canonical SMILES for 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is CC(C)CN1CC2(CCN(C(=O)C3(F)CC3)CC2)C2(CCN(C)C2=O)C1.
What is the InChIKey of 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The InChIKey is FFLZBCSXYGHELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O2/c1-15(2)12-23-13-18(19(14-23)8-9-22(3)16(19)25)6-10-24(11-7-18)17(26)20(21)4-5-20/h15H,4-14H2,1-3H3.
What are the key properties of 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one has a molecular weight of 365.49 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-fluorocyclopropanecarbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is sourced from PubChem (CID 131685038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).