1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione

C28H35N3O3 — CID 53327992

IUPAC1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1
InChIInChI=1S/C28H35N3O3/c1-34-25-11-5-4-10-24(25)30-18-16-29(17-19-30)14-6-7-15-31-26(32)20-28(21-27(31)33)13-12-22-8-2-3-9-23(22)28/h2-5,8-11H,6-7,12-21H2,1H3
InChIKeyCFQKUDNKFVYAOC-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.63
Rot. Bonds7

About 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione

1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione (PubChem CID 53327992) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione.

Molecular Properties

Compound Name1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
PubChem CID53327992
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1
InChIInChI=1S/C28H35N3O3/c1-34-25-11-5-4-10-24(25)30-18-16-29(17-19-30)14-6-7-15-31-26(32)20-28(21-27(31)33)13-12-22-8-2-3-9-23(22)28/h2-5,8-11H,6-7,12-21H2,1H3
InChIKeyCFQKUDNKFVYAOC-UHFFFAOYSA-N
XLogP3.63
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
The IUPAC name of 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione (CID 53327992) is 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione.
What is the SMILES notation for 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
The canonical SMILES for 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione is COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1.
What is the InChIKey of 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
The InChIKey is CFQKUDNKFVYAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-34-25-11-5-4-10-24(25)30-18-16-29(17-19-30)14-6-7-15-31-26(32)20-28(21-27(31)33)13-12-22-8-2-3-9-23(22)28/h2-5,8-11H,6-7,12-21H2,1H3.
What are the key properties of 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione has a molecular weight of 461.61 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione is sourced from PubChem (CID 53327992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).