1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C32H32N2O4 — CID 58967865

IUPAC1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12
InChIInChI=1S/C32H32N2O4/c1-37-29-14-7-12-24-26(31(36)23-9-3-2-4-10-23)22-34(30(24)29)18-8-17-33-19-15-32(16-20-33)21-27(35)25-11-5-6-13-28(25)38-32/h2-7,9-14,22H,8,15-21H2,1H3
InChIKeyYOLUZQOMNJEXAI-UHFFFAOYSA-N
MW508.62 g/mol
LogP5.77
Rot. Bonds7

About 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one

1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 58967865) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID58967865
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12
InChIInChI=1S/C32H32N2O4/c1-37-29-14-7-12-24-26(31(36)23-9-3-2-4-10-23)22-34(30(24)29)18-8-17-33-19-15-32(16-20-33)21-27(35)25-11-5-6-13-28(25)38-32/h2-7,9-14,22H,8,15-21H2,1H3
InChIKeyYOLUZQOMNJEXAI-UHFFFAOYSA-N
XLogP5.77
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 58967865) is 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC4(CC3)CC(=O)c3ccccc3O4)c12.
What is the InChIKey of 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is YOLUZQOMNJEXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-37-29-14-7-12-24-26(31(36)23-9-3-2-4-10-23)22-34(30(24)29)18-8-17-33-19-15-32(16-20-33)21-27(35)25-11-5-6-13-28(25)38-32/h2-7,9-14,22H,8,15-21H2,1H3.
What are the key properties of 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 508.62 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(3-benzoyl-7-methoxyindol-1-yl)propyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 58967865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).