4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one

C19H25FN4O — CID 135875805

IUPAC4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1N/C(=N\C2CCCCC2)C2(CCNCC2)N1c1cccc(F)c1
InChIInChI=1S/C19H25FN4O/c20-14-5-4-8-16(13-14)24-18(25)23-17(19(24)9-11-21-12-10-19)22-15-6-2-1-3-7-15/h4-5,8,13,15,21H,1-3,6-7,9-12H2,(H,22,23,25)
InChIKeyCLSHIGIZZCVNHG-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.21
Rot. Bonds2

About 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one

4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 135875805) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID135875805
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1N/C(=N\C2CCCCC2)C2(CCNCC2)N1c1cccc(F)c1
InChIInChI=1S/C19H25FN4O/c20-14-5-4-8-16(13-14)24-18(25)23-17(19(24)9-11-21-12-10-19)22-15-6-2-1-3-7-15/h4-5,8,13,15,21H,1-3,6-7,9-12H2,(H,22,23,25)
InChIKeyCLSHIGIZZCVNHG-UHFFFAOYSA-N
XLogP3.21
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 135875805) is 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one is O=C1N/C(=N\C2CCCCC2)C2(CCNCC2)N1c1cccc(F)c1.
What is the InChIKey of 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is CLSHIGIZZCVNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c20-14-5-4-8-16(13-14)24-18(25)23-17(19(24)9-11-21-12-10-19)22-15-6-2-1-3-7-15/h4-5,8,13,15,21H,1-3,6-7,9-12H2,(H,22,23,25).
What are the key properties of 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one?
4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 344.43 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylimino-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 135875805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).