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

C25H38N6O2 — CID 58826231

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

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 58826231) has the molecular formula C25H38N6O2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 58826231
• Molecular Formula: C25H38N6O2
• Molecular Weight: 454.62 g/mol
• Exact Mass: 454.31
• IUPAC Name: 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: O=C(CN1CCN(c2ccc(C(=O)N3CCCCC3)cn2)CC1)N1CCN(C2CCC2)CC1
• InChI: InChI=1S/C25H38N6O2/c32-24(30-17-15-28(16-18-30)22-5-4-6-22)20-27-11-13-29(14-12-27)23-8-7-21(19-26-23)25(33)31-9-2-1-3-10-31/h7-8,19,22H,1-6,9-18,20H2
• InChIKey: WIGYNFQJNPIEIB-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 63.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.62
LogP ≤ 5	1.53
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-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 58826231) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone.

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

The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc(C(=O)N3CCCCC3)cn2)CC1)N1CCN(C2CCC2)CC1.

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

The InChIKey is WIGYNFQJNPIEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O2/c32-24(30-17-15-28(16-18-30)22-5-4-6-22)20-27-11-13-29(14-12-27)23-8-7-21(19-26-23)25(33)31-9-2-1-3-10-31/h7-8,19,22H,1-6,9-18,20H2.

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

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 454.62 g/mol, XLogP of 1.53, 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-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58826231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).