(5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C23H26FN3O3 — CID 3234106

IUPAC(5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1
InChIInChI=1S/C23H26FN3O3/c1-30-20-8-6-17(7-9-20)21(28)26-12-3-10-23(15-26)11-13-27(16-23)22(29)25-19-5-2-4-18(24)14-19/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,25,29)/t23-/m1/s1
InChIKeyZNJZNAWGWDSNSE-HSZRJFAPSA-N
MW411.48 g/mol
LogP3.99
Rot. Bonds3

About (5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234106) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is (5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234106
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name(5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1
InChIInChI=1S/C23H26FN3O3/c1-30-20-8-6-17(7-9-20)21(28)26-12-3-10-23(15-26)11-13-27(16-23)22(29)25-19-5-2-4-18(24)14-19/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,25,29)/t23-/m1/s1
InChIKeyZNJZNAWGWDSNSE-HSZRJFAPSA-N
XLogP3.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.99
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-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3234106) is (5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is COc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1.
What is the InChIKey of (5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is ZNJZNAWGWDSNSE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-30-20-8-6-17(7-9-20)21(28)26-12-3-10-23(15-26)11-13-27(16-23)22(29)25-19-5-2-4-18(24)14-19/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,25,29)/t23-/m1/s1.
What are the key properties of (5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.99, 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-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).