8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane

C25H30N2O — CID 172515578

About 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane

8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 172515578) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane
• PubChem CID: 172515578
• Molecular Formula: C25H30N2O
• Molecular Weight: 374.53 g/mol
• Exact Mass: 374.24
• IUPAC Name: 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane
• SMILES: Cc1cc(C)c2[nH]ccc2c1CN1CCC2(CCCO2)CC1c1ccccc1
• InChI: InChI=1S/C25H30N2O/c1-18-15-19(2)24-21(9-12-26-24)22(18)17-27-13-11-25(10-6-14-28-25)16-23(27)20-7-4-3-5-8-20/h3-5,7-9,12,15,23,26H,6,10-11,13-14,16-17H2,1-2H3
• InChIKey: ZIYKGPGOPWVANZ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 28.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.53
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane?

The IUPAC name of 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane (CID 172515578) is 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane.

What is the SMILES notation for 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane?

The canonical SMILES for 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane is Cc1cc(C)c2[nH]ccc2c1CN1CCC2(CCCO2)CC1c1ccccc1.

What is the InChIKey of 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane?

The InChIKey is ZIYKGPGOPWVANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-18-15-19(2)24-21(9-12-26-24)22(18)17-27-13-11-25(10-6-14-28-25)16-23(27)20-7-4-3-5-8-20/h3-5,7-9,12,15,23,26H,6,10-11,13-14,16-17H2,1-2H3.

What are the key properties of 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane?

8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 374.53 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 172515578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).