oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone

C26H35N3O3 — CID 45212096

About oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone

oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone (PubChem CID 45212096) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone.

Molecular Properties

• Compound Name: oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone
• PubChem CID: 45212096
• Molecular Formula: C26H35N3O3
• Molecular Weight: 437.58 g/mol
• Exact Mass: 437.27
• IUPAC Name: oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone
• SMILES: O=C(C1CCCO1)N1CCC2(CC1)CC2C(=O)N1CCN(C/C=C/c2ccccc2)CC1
• InChI: InChI=1S/C26H35N3O3/c30-24(29-17-15-27(16-18-29)12-4-8-21-6-2-1-3-7-21)22-20-26(22)10-13-28(14-11-26)25(31)23-9-5-19-32-23/h1-4,6-8,22-23H,5,9-20H2/b8-4+
• InChIKey: KRCUNLWBPDWBSI-XBXARRHUSA-N
• XLogP: 2.65
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.58
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone?

The IUPAC name of oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone (CID 45212096) is oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone.

What is the SMILES notation for oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone?

The canonical SMILES for oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone is O=C(C1CCCO1)N1CCC2(CC1)CC2C(=O)N1CCN(C/C=C/c2ccccc2)CC1.

What is the InChIKey of oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone?

The InChIKey is KRCUNLWBPDWBSI-XBXARRHUSA-N. The full InChI is InChI=1S/C26H35N3O3/c30-24(29-17-15-27(16-18-29)12-4-8-21-6-2-1-3-7-21)22-20-26(22)10-13-28(14-11-26)25(31)23-9-5-19-32-23/h1-4,6-8,22-23H,5,9-20H2/b8-4+.

What are the key properties of oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone?

oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone has a molecular weight of 437.58 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for oxolan-2-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-6-azaspiro[2.5]octan-6-yl]methanone is sourced from PubChem (CID 45212096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).