1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone

C26H40N6O2 — CID 57442793

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 57442793) has the molecular formula C26H40N6O2 and a molecular weight of 468.65 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 57442793
• Molecular Formula: C26H40N6O2
• Molecular Weight: 468.65 g/mol
• Exact Mass: 468.32
• IUPAC Name: 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: CC1CCCCN1C(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)nc1
• InChI: InChI=1S/C26H40N6O2/c1-21-5-2-3-10-32(21)26(34)22-8-9-24(27-19-22)30-13-11-28(12-14-30)20-25(33)31-17-15-29(16-18-31)23-6-4-7-23/h8-9,19,21,23H,2-7,10-18,20H2,1H3
• InChIKey: RMJPNVUKTQVRAT-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 63.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.65
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 57442793) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone is CC1CCCCN1C(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)nc1.

What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is RMJPNVUKTQVRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O2/c1-21-5-2-3-10-32(21)26(34)22-8-9-24(27-19-22)30-13-11-28(12-14-30)20-25(33)31-17-15-29(16-18-31)23-6-4-7-23/h8-9,19,21,23H,2-7,10-18,20H2,1H3.

What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 468.65 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57442793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).