oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone

C31H41N3O4 — CID 155197019

IUPACoxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(C2CC3(CCCCCCCCC3)c3occc3N2)cc1)N1CCN(C(=O)C2CCO2)CC1
InChIInChI=1S/C31H41N3O4/c35-29(33-16-18-34(19-17-33)30(36)27-13-21-37-27)24-10-8-23(9-11-24)26-22-31(28-25(32-26)12-20-38-28)14-6-4-2-1-3-5-7-15-31/h8-12,20,26-27,32H,1-7,13-19,21-22H2
InChIKeyFEFUHGPOQXJIKZ-UHFFFAOYSA-N
MW519.69 g/mol
LogP5.67
Rot. Bonds3

About oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone

oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone (PubChem CID 155197019) has the molecular formula C31H41N3O4 and a molecular weight of 519.69 g/mol. Its IUPAC name is oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone
PubChem CID155197019
Molecular FormulaC31H41N3O4
Molecular Weight519.69 g/mol
Exact Mass519.31
IUPAC Nameoxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(C2CC3(CCCCCCCCC3)c3occc3N2)cc1)N1CCN(C(=O)C2CCO2)CC1
InChIInChI=1S/C31H41N3O4/c35-29(33-16-18-34(19-17-33)30(36)27-13-21-37-27)24-10-8-23(9-11-24)26-22-31(28-25(32-26)12-20-38-28)14-6-4-2-1-3-5-7-15-31/h8-12,20,26-27,32H,1-7,13-19,21-22H2
InChIKeyFEFUHGPOQXJIKZ-UHFFFAOYSA-N
XLogP5.67
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone (CID 155197019) is oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(C2CC3(CCCCCCCCC3)c3occc3N2)cc1)N1CCN(C(=O)C2CCO2)CC1.
What is the InChIKey of oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is FEFUHGPOQXJIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O4/c35-29(33-16-18-34(19-17-33)30(36)27-13-21-37-27)24-10-8-23(9-11-24)26-22-31(28-25(32-26)12-20-38-28)14-6-4-2-1-3-5-7-15-31/h8-12,20,26-27,32H,1-7,13-19,21-22H2.
What are the key properties of oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone?
oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 519.69 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-yl-[4-(4-spiro[5,6-dihydro-4H-furo[3,2-b]pyridine-7,1'-cyclodecane]-5-ylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 155197019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).