methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium

C18H26N3O4+ — CID 166004635

IUPACmethoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium
SMILESCO[N+](=O)c1cc2c(cc1N1CCOCC1)OC1(CCN(C)CC1)C2
InChIInChI=1S/C18H26N3O4/c1-19-5-3-18(4-6-19)13-14-11-16(21(22)23-2)15(12-17(14)25-18)20-7-9-24-10-8-20/h11-12H,3-10,13H2,1-2H3/q+1
InChIKeyWYMGXJOAMSFBHF-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.89
Rot. Bonds3

About methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium

methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium (PubChem CID 166004635) has the molecular formula C18H26N3O4+ and a molecular weight of 348.42 g/mol. Its IUPAC name is methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium.

Molecular Properties

Compound Namemethoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium
PubChem CID166004635
Molecular FormulaC18H26N3O4+
Molecular Weight348.42 g/mol
Exact Mass348.19
IUPAC Namemethoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium
SMILESCO[N+](=O)c1cc2c(cc1N1CCOCC1)OC1(CCN(C)CC1)C2
InChIInChI=1S/C18H26N3O4/c1-19-5-3-18(4-6-19)13-14-11-16(21(22)23-2)15(12-17(14)25-18)20-7-9-24-10-8-20/h11-12H,3-10,13H2,1-2H3/q+1
InChIKeyWYMGXJOAMSFBHF-UHFFFAOYSA-N
XLogP1.89
TPSA54.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 175176145
6-fluoro-5-nitrospiro[3H-1-benzofuran-2,4'-oxane]
CID 129283979
[2,2-dimethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-3H-1-benzofuran-5-yl]-methoxy-oxoazanium
CID 166004575
1-fluoro-2-methyl-1-(2-methyl-6-morpholin-4-yl-5-nitro-3H-1-benzofuran-2-yl)propan-2-ol
CID 129284011
2-(methoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 129284277
(6-fluoro-2-methyl-2-propan-2-yl-3H-1-benzofuran-5-yl)-methoxy-oxoazanium
CID 166004604
6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 176615898
N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 167038773
N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284364
2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol
CID 129284216
2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 129284594
[1-(2,2-dimethyl-5-nitro-3H-1-benzofuran-6-yl)piperidin-4-yl]methanol
CID 129284023

Frequently Asked Questions

What is the IUPAC name of methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium?
The IUPAC name of methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium (CID 166004635) is methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium.
What is the SMILES notation for methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium?
The canonical SMILES for methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium is CO[N+](=O)c1cc2c(cc1N1CCOCC1)OC1(CCN(C)CC1)C2.
What is the InChIKey of methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium?
The InChIKey is WYMGXJOAMSFBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N3O4/c1-19-5-3-18(4-6-19)13-14-11-16(21(22)23-2)15(12-17(14)25-18)20-7-9-24-10-8-20/h11-12H,3-10,13H2,1-2H3/q+1.
What are the key properties of methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium?
methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium has a molecular weight of 348.42 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium is sourced from PubChem (CID 166004635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).