5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one

C23H22N4O3 — CID 134809200

IUPAC5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(c2cnccn2)CC1
InChIInChI=1S/C23H22N4O3/c1-29-19-13-17-18(14-20(19)30-16-5-3-2-4-6-16)26-22(28)23(17)7-11-27(12-8-23)21-15-24-9-10-25-21/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H,26,28)
InChIKeyBTRRRZJWXMYOLD-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.77
Rot. Bonds4

About 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one

5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134809200) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134809200
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(c2cnccn2)CC1
InChIInChI=1S/C23H22N4O3/c1-29-19-13-17-18(14-20(19)30-16-5-3-2-4-6-16)26-22(28)23(17)7-11-27(12-8-23)21-15-24-9-10-25-21/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H,26,28)
InChIKeyBTRRRZJWXMYOLD-UHFFFAOYSA-N
XLogP3.77
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one (CID 134809200) is 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(c2cnccn2)CC1.
What is the InChIKey of 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is BTRRRZJWXMYOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-19-13-17-18(14-20(19)30-16-5-3-2-4-6-16)26-22(28)23(17)7-11-27(12-8-23)21-15-24-9-10-25-21/h2-6,9-10,13-15H,7-8,11-12H2,1H3,(H,26,28).
What are the key properties of 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 402.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-phenoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134809200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).