3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C24H29N3O3 — CID 130202549

About 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202549) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 130202549
• Molecular Formula: C24H29N3O3
• Molecular Weight: 407.51 g/mol
• Exact Mass: 407.22
• IUPAC Name: 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cccc3c1OCO3)C(=O)N2
• InChI: InChI=1S/C24H29N3O3/c1-26(2)24(19-8-4-3-5-9-19)13-11-23(12-14-24)16-27(22(28)25-23)15-18-7-6-10-20-21(18)30-17-29-20/h3-10H,11-17H2,1-2H3,(H,25,28)
• InChIKey: GHBSGBINSHEWLA-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.51
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202549) is 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1cccc3c1OCO3)C(=O)N2.

What is the InChIKey of 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is GHBSGBINSHEWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26(2)24(19-8-4-3-5-9-19)13-11-23(12-14-24)16-27(22(28)25-23)15-18-7-6-10-20-21(18)30-17-29-20/h3-10H,11-17H2,1-2H3,(H,25,28).

What are the key properties of 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 407.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-4-ylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).