1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one

C25H32N2O3 — CID 134808171

IUPAC1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)C(C)C)CC21CCN(C)CC1
InChIInChI=1S/C25H32N2O3/c1-18(2)24(28)27-17-25(10-12-26(3)13-11-25)20-14-22(29-4)23(15-21(20)27)30-16-19-8-6-5-7-9-19/h5-9,14-15,18H,10-13,16-17H2,1-4H3
InChIKeyUEYXJPGYTNKVDY-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.24
Rot. Bonds5

About 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one

1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one (PubChem CID 134808171) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one
PubChem CID134808171
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)C(C)C)CC21CCN(C)CC1
InChIInChI=1S/C25H32N2O3/c1-18(2)24(28)27-17-25(10-12-26(3)13-11-25)20-14-22(29-4)23(15-21(20)27)30-16-19-8-6-5-7-9-19/h5-9,14-15,18H,10-13,16-17H2,1-4H3
InChIKeyUEYXJPGYTNKVDY-UHFFFAOYSA-N
XLogP4.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one (CID 134808171) is 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one is COc1cc2c(cc1OCc1ccccc1)N(C(=O)C(C)C)CC21CCN(C)CC1.
What is the InChIKey of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one?
The InChIKey is UEYXJPGYTNKVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18(2)24(28)27-17-25(10-12-26(3)13-11-25)20-14-22(29-4)23(15-21(20)27)30-16-19-8-6-5-7-9-19/h5-9,14-15,18H,10-13,16-17H2,1-4H3.
What are the key properties of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one?
1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one has a molecular weight of 408.54 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 134808171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).