2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one

C16H26FN3O2 — CID 131681892

IUPAC2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN(C)CCN1CCC2(CCCN(C(=O)C3(F)CC3)C2)C1=O
InChIInChI=1S/C16H26FN3O2/c1-18(2)10-11-19-9-7-15(13(19)21)4-3-8-20(12-15)14(22)16(17)5-6-16/h3-12H2,1-2H3
InChIKeyFVTFXYHONRMELR-UHFFFAOYSA-N
MW311.40 g/mol
LogP0.89
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one

2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131681892) has the molecular formula C16H26FN3O2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131681892
Molecular FormulaC16H26FN3O2
Molecular Weight311.40 g/mol
Exact Mass311.20
IUPAC Name2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCN(C)CCN1CCC2(CCCN(C(=O)C3(F)CC3)C2)C1=O
InChIInChI=1S/C16H26FN3O2/c1-18(2)10-11-19-9-7-15(13(19)21)4-3-8-20(12-15)14(22)16(17)5-6-16/h3-12H2,1-2H3
InChIKeyFVTFXYHONRMELR-UHFFFAOYSA-N
XLogP0.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131681892) is 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one is CN(C)CCN1CCC2(CCCN(C(=O)C3(F)CC3)C2)C1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is FVTFXYHONRMELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2/c1-18(2)10-11-19-9-7-15(13(19)21)4-3-8-20(12-15)14(22)16(17)5-6-16/h3-12H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 311.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-(1-fluorocyclopropanecarbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131681892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).