(5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C18H24FN3O3 — CID 3234232

IUPAC(5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOCC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1
InChIInChI=1S/C18H24FN3O3/c1-25-11-16(23)21-8-3-6-18(12-21)7-9-22(13-18)17(24)20-15-5-2-4-14(19)10-15/h2,4-5,10H,3,6-9,11-13H2,1H3,(H,20,24)/t18-/m1/s1
InChIKeyJZVOXIIWZAAFKP-GOSISDBHSA-N
MW349.41 g/mol
LogP2.32
Rot. Bonds3

About (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234232) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234232
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name(5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOCC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1
InChIInChI=1S/C18H24FN3O3/c1-25-11-16(23)21-8-3-6-18(12-21)7-9-22(13-18)17(24)20-15-5-2-4-14(19)10-15/h2,4-5,10H,3,6-9,11-13H2,1H3,(H,20,24)/t18-/m1/s1
InChIKeyJZVOXIIWZAAFKP-GOSISDBHSA-N
XLogP2.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3234232) is (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is COCC(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1.
What is the InChIKey of (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is JZVOXIIWZAAFKP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-25-11-16(23)21-8-3-6-18(12-21)7-9-22(13-18)17(24)20-15-5-2-4-14(19)10-15/h2,4-5,10H,3,6-9,11-13H2,1H3,(H,20,24)/t18-/m1/s1.
What are the key properties of (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(3-fluorophenyl)-9-(2-methoxyacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).