3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide

C23H33N5O3 — CID 38448455

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 38448455) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
• PubChem CID: 38448455
• Molecular Formula: C23H33N5O3
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.26
• IUPAC Name: 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
• SMILES: O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCN1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C23H33N5O3/c29-20(9-14-28-21(30)23(25-22(28)31)10-4-5-11-23)24-12-6-13-26-15-17-27(18-16-26)19-7-2-1-3-8-19/h1-3,7-8H,4-6,9-18H2,(H,24,29)(H,25,31)
• InChIKey: WJFIHGQNOGMIAG-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?

The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 38448455) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide.

What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?

The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCN1CCN(c2ccccc2)CC1.

What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?

The InChIKey is WJFIHGQNOGMIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c29-20(9-14-28-21(30)23(25-22(28)31)10-4-5-11-23)24-12-6-13-26-15-17-27(18-16-26)19-7-2-1-3-8-19/h1-3,7-8H,4-6,9-18H2,(H,24,29)(H,25,31).

What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 38448455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).