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

C26H32N2O3 — CID 134807580

IUPAC2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)CC1CC1)CC21CCN(C)CC1
InChIInChI=1S/C26H32N2O3/c1-27-12-10-26(11-13-27)18-28(25(29)14-19-8-9-19)22-16-24(23(30-2)15-21(22)26)31-17-20-6-4-3-5-7-20/h3-7,15-16,19H,8-14,17-18H2,1-2H3
InChIKeyGZWRFPJTTDXEDP-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.38
Rot. Bonds6

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

2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone (PubChem CID 134807580) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
PubChem CID134807580
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)CC1CC1)CC21CCN(C)CC1
InChIInChI=1S/C26H32N2O3/c1-27-12-10-26(11-13-27)18-28(25(29)14-19-8-9-19)22-16-24(23(30-2)15-21(22)26)31-17-20-6-4-3-5-7-20/h3-7,15-16,19H,8-14,17-18H2,1-2H3
InChIKeyGZWRFPJTTDXEDP-UHFFFAOYSA-N
XLogP4.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone (CID 134807580) is 2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone is COc1cc2c(cc1OCc1ccccc1)N(C(=O)CC1CC1)CC21CCN(C)CC1.
What is the InChIKey of 2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
The InChIKey is GZWRFPJTTDXEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-27-12-10-26(11-13-27)18-28(25(29)14-19-8-9-19)22-16-24(23(30-2)15-21(22)26)31-17-20-6-4-3-5-7-20/h3-7,15-16,19H,8-14,17-18H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone?
2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone has a molecular weight of 420.55 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone is sourced from PubChem (CID 134807580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).