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

C27H33N3O3 — CID 53328873

IUPAC1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1
InChIInChI=1S/C27H33N3O3/c1-33-24-10-5-4-9-23(24)29-17-15-28(16-18-29)13-6-14-30-25(31)19-27(20-26(30)32)12-11-21-7-2-3-8-22(21)27/h2-5,7-10H,6,11-20H2,1H3
InChIKeyDIHJKGKNVGCNHJ-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.24
Rot. Bonds6

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

1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione (PubChem CID 53328873) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione.

Molecular Properties

Compound Name1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
PubChem CID53328873
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1
InChIInChI=1S/C27H33N3O3/c1-33-24-10-5-4-9-23(24)29-17-15-28(16-18-29)13-6-14-30-25(31)19-27(20-26(30)32)12-11-21-7-2-3-8-22(21)27/h2-5,7-10H,6,11-20H2,1H3
InChIKeyDIHJKGKNVGCNHJ-UHFFFAOYSA-N
XLogP3.24
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
The IUPAC name of 1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione (CID 53328873) is 1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione.
What is the SMILES notation for 1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
The canonical SMILES for 1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione is COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc43)CC2=O)CC1.
What is the InChIKey of 1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
The InChIKey is DIHJKGKNVGCNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-33-24-10-5-4-9-23(24)29-17-15-28(16-18-29)13-6-14-30-25(31)19-27(20-26(30)32)12-11-21-7-2-3-8-22(21)27/h2-5,7-10H,6,11-20H2,1H3.
What are the key properties of 1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione?
1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione has a molecular weight of 447.58 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2',6'-dione is sourced from PubChem (CID 53328873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).