N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide

C18H24FN3O3 — CID 162633146

IUPACN-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
SMILESCOCCN1CCCC2(CCCN2C(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H24FN3O3/c1-25-13-12-21-10-2-8-18(16(21)23)9-3-11-22(18)17(24)20-15-6-4-14(19)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,20,24)
InChIKeyJDLNCGNAEXSTHK-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.46
Rot. Bonds4

About N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide

N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide (PubChem CID 162633146) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
PubChem CID162633146
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
SMILESCOCCN1CCCC2(CCCN2C(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H24FN3O3/c1-25-13-12-21-10-2-8-18(16(21)23)9-3-11-22(18)17(24)20-15-6-4-14(19)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,20,24)
InChIKeyJDLNCGNAEXSTHK-UHFFFAOYSA-N
XLogP2.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide (CID 162633146) is N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide is COCCN1CCCC2(CCCN2C(=O)Nc2ccc(F)cc2)C1=O.
What is the InChIKey of N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
The InChIKey is JDLNCGNAEXSTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-25-13-12-21-10-2-8-18(16(21)23)9-3-11-22(18)17(24)20-15-6-4-14(19)5-7-15/h4-7H,2-3,8-13H2,1H3,(H,20,24).
What are the key properties of N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-9-(2-methoxyethyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 162633146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).