(4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C₁₉H₃₀N₂O₄ — CID 1131674

About (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 1131674) has the molecular formula C₁₉H₃₀N₂O₄ and a molecular weight of 350.46 g/mol. Its IUPAC name is (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

• Compound Name: (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
• PubChem CID: 1131674
• Molecular Formula: C₁₉H₃₀N₂O₄
• Molecular Weight: 350.46 g/mol
• Exact Mass: 350.22
• IUPAC Name: (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
• SMILES: CCC(CC)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
• InChI: InChI=1S/C19H30N2O4/c1-6-15(7-2)20-8-10-21(11-9-20)19(22)14-12-16(23-3)18(25-5)17(13-14)24-4/h12-13,15H,6-11H2,1-5H3
• InChIKey: SLUSHLDRCSCMEQ-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 51.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.46
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?

The IUPAC name of (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 1131674) is (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

What is the SMILES notation for (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?

The canonical SMILES for (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is CCC(CC)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1.

What is the InChIKey of (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?

The InChIKey is SLUSHLDRCSCMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-15(7-2)20-8-10-21(11-9-20)19(22)14-12-16(23-3)18(25-5)17(13-14)24-4/h12-13,15H,6-11H2,1-5H3.

What are the key properties of (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?

(4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 350.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 1131674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1131674 — identifiers, structure, computed properties (public domain)

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