3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C25H30FN3O — CID 143644158

IUPAC3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)C1c1ccc(C2CCC2)cc1
InChIInChI=1S/C25H30FN3O/c1-28-17-25(23(28)20-7-5-19(6-8-20)18-3-2-4-18)13-15-29(16-14-25)24(30)27-22-11-9-21(26)10-12-22/h5-12,18,23H,2-4,13-17H2,1H3,(H,27,30)
InChIKeyYMXYTYVKQSLHCX-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.39
Rot. Bonds3

About 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 143644158) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID143644158
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)C1c1ccc(C2CCC2)cc1
InChIInChI=1S/C25H30FN3O/c1-28-17-25(23(28)20-7-5-19(6-8-20)18-3-2-4-18)13-15-29(16-14-25)24(30)27-22-11-9-21(26)10-12-22/h5-12,18,23H,2-4,13-17H2,1H3,(H,27,30)
InChIKeyYMXYTYVKQSLHCX-UHFFFAOYSA-N
XLogP5.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 143644158) is 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CN1CC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)C1c1ccc(C2CCC2)cc1.
What is the InChIKey of 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is YMXYTYVKQSLHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-28-17-25(23(28)20-7-5-19(6-8-20)18-3-2-4-18)13-15-29(16-14-25)24(30)27-22-11-9-21(26)10-12-22/h5-12,18,23H,2-4,13-17H2,1H3,(H,27,30).
What are the key properties of 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 407.53 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutylphenyl)-N-(4-fluorophenyl)-2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 143644158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).