N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide

C21H34N6O4 — CID 166190847

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide (PubChem CID 166190847) has the molecular formula C21H34N6O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
• PubChem CID: 166190847
• Molecular Formula: C21H34N6O4
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.26
• IUPAC Name: N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide
• SMILES: CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)CN3CCCC3)CC1)C2=O
• InChI: InChI=1S/C21H34N6O4/c1-16-4-6-21(7-5-16)19(30)27(20(31)22-21)23-17(28)14-25-10-12-26(13-11-25)18(29)15-24-8-2-3-9-24/h16H,2-15H2,1H3,(H,22,31)(H,23,28)
• InChIKey: VIEJVDONFOONJT-UHFFFAOYSA-N
• XLogP: -0.24
• TPSA: 105.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	-0.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide?

The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide (CID 166190847) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide?

The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)CN3CCCC3)CC1)C2=O.

What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide?

The InChIKey is VIEJVDONFOONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O4/c1-16-4-6-21(7-5-16)19(30)27(20(31)22-21)23-17(28)14-25-10-12-26(13-11-25)18(29)15-24-8-2-3-9-24/h16H,2-15H2,1H3,(H,22,31)(H,23,28).

What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide?

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 166190847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).