1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C14H22FN3O2 — CID 131682939

IUPAC1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCNC(=O)C12CCN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C14H22FN3O2/c1-2-18-10-7-16-11(19)14(18)5-8-17(9-6-14)12(20)13(15)3-4-13/h2-10H2,1H3,(H,16,19)
InChIKeyQZBIIYGHQZFYMR-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.30
Rot. Bonds2

About 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 131682939) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID131682939
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCCN1CCNC(=O)C12CCN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C14H22FN3O2/c1-2-18-10-7-16-11(19)14(18)5-8-17(9-6-14)12(20)13(15)3-4-13/h2-10H2,1H3,(H,16,19)
InChIKeyQZBIIYGHQZFYMR-UHFFFAOYSA-N
XLogP0.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 131682939) is 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CCN1CCNC(=O)C12CCN(C(=O)C1(F)CC1)CC2.
What is the InChIKey of 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is QZBIIYGHQZFYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-2-18-10-7-16-11(19)14(18)5-8-17(9-6-14)12(20)13(15)3-4-13/h2-10H2,1H3,(H,16,19).
What are the key properties of 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 283.35 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-(1-fluorocyclopropanecarbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 131682939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).