1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine

C20H29N3O2 — CID 142389242

About 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine

1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine (PubChem CID 142389242) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine.

Molecular Properties

• Compound Name: 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine
• PubChem CID: 142389242
• Molecular Formula: C20H29N3O2
• Molecular Weight: 343.47 g/mol
• Exact Mass: 343.23
• IUPAC Name: 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine
• SMILES: COC1CC(Oc2ccc(C#CCN3CCN(C(C)C)CC3)nc2)C1
• InChI: InChI=1S/C20H29N3O2/c1-16(2)23-11-9-22(10-12-23)8-4-5-17-6-7-18(15-21-17)25-20-13-19(14-20)24-3/h6-7,15-16,19-20H,8-14H2,1-3H3
• InChIKey: TWHWVECCKVXEJX-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 37.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.47
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine?

The IUPAC name of 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine (CID 142389242) is 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine.

What is the SMILES notation for 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine?

The canonical SMILES for 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine is COC1CC(Oc2ccc(C#CCN3CCN(C(C)C)CC3)nc2)C1.

What is the InChIKey of 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine?

The InChIKey is TWHWVECCKVXEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(2)23-11-9-22(10-12-23)8-4-5-17-6-7-18(15-21-17)25-20-13-19(14-20)24-3/h6-7,15-16,19-20H,8-14H2,1-3H3.

What are the key properties of 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine?

1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine has a molecular weight of 343.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-(3-methoxycyclobutyl)oxy-2-pyridinyl]prop-2-ynyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 142389242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).