9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one

C24H30N4O2 — CID 162626511

About 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one

9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162626511) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

• Compound Name: 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one
• PubChem CID: 162626511
• Molecular Formula: C24H30N4O2
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.24
• IUPAC Name: 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one
• SMILES: Cc1ccc(N2CCCC3(CCCN3C(=O)CN(C)Cc3ccncc3)C2=O)cc1
• InChI: InChI=1S/C24H30N4O2/c1-19-5-7-21(8-6-19)27-15-3-11-24(23(27)30)12-4-16-28(24)22(29)18-26(2)17-20-9-13-25-14-10-20/h5-10,13-14H,3-4,11-12,15-18H2,1-2H3
• InChIKey: FDWJSTWQVHLYEU-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 56.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one?

The IUPAC name of 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162626511) is 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one.

What is the SMILES notation for 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one?

The canonical SMILES for 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc(N2CCCC3(CCCN3C(=O)CN(C)Cc3ccncc3)C2=O)cc1.

What is the InChIKey of 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one?

The InChIKey is FDWJSTWQVHLYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19-5-7-21(8-6-19)27-15-3-11-24(23(27)30)12-4-16-28(24)22(29)18-26(2)17-20-9-13-25-14-10-20/h5-10,13-14H,3-4,11-12,15-18H2,1-2H3.

What are the key properties of 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one?

9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 406.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162626511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).