1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one

C26H38FN3O3 — CID 158263194

About 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 158263194) has the molecular formula C26H38FN3O3 and a molecular weight of 459.61 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 158263194
• Molecular Formula: C26H38FN3O3
• Molecular Weight: 459.61 g/mol
• Exact Mass: 459.29
• IUPAC Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1
• InChI: InChI=1S/C26H38FN3O3/c1-28(2)26(21-8-4-9-22(27)16-21)13-11-25(12-14-26)19-29(18-23(32)10-5-15-31)24(33)30(25)17-20-6-3-7-20/h4,8-9,16,20,31H,3,5-7,10-15,17-19H2,1-2H3
• InChIKey: HNOIIKCORIRVAD-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 64.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.61
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one (CID 158263194) is 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(CC(=O)CCCO)C(=O)N2CC1CCC1.

What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is HNOIIKCORIRVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38FN3O3/c1-28(2)26(21-8-4-9-22(27)16-21)13-11-25(12-14-26)19-29(18-23(32)10-5-15-31)24(33)30(25)17-20-6-3-7-20/h4,8-9,16,20,31H,3,5-7,10-15,17-19H2,1-2H3.

What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one?

1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 459.61 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158263194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).