1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one

C16H26FN3O2 — CID 131684918

IUPAC1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C16H26FN3O2/c1-18(2)11-12-20-13(21)3-4-15(20)7-9-19(10-8-15)14(22)16(17)5-6-16/h3-12H2,1-2H3
InChIKeyIVIVSDLUUMTZKC-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.03
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one

1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131684918) has the molecular formula C16H26FN3O2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131684918
Molecular FormulaC16H26FN3O2
Molecular Weight311.40 g/mol
Exact Mass311.20
IUPAC Name1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C16H26FN3O2/c1-18(2)11-12-20-13(21)3-4-15(20)7-9-19(10-8-15)14(22)16(17)5-6-16/h3-12H2,1-2H3
InChIKeyIVIVSDLUUMTZKC-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 131684918) is 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one is CN(C)CCN1C(=O)CCC12CCN(C(=O)C1(F)CC1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IVIVSDLUUMTZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2/c1-18(2)11-12-20-13(21)3-4-15(20)7-9-19(10-8-15)14(22)16(17)5-6-16/h3-12H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one?
1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 311.40 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8-(1-fluorocyclopropanecarbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131684918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).