2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione

C27H32N2O3 — CID 67707255

IUPAC2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione
SMILESCOc1ccc2c(c1)CCC1(CCCCN1CCCCN1C(=O)c3ccccc3C1=O)C2
InChIInChI=1S/C27H32N2O3/c1-32-22-11-10-21-19-27(14-12-20(21)18-22)13-4-5-15-28(27)16-6-7-17-29-25(30)23-8-2-3-9-24(23)26(29)31/h2-3,8-11,18H,4-7,12-17,19H2,1H3
InChIKeyJBFQCPSVQNKNDH-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.49
Rot. Bonds6

About 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione

2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione (PubChem CID 67707255) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione
PubChem CID67707255
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione
SMILESCOc1ccc2c(c1)CCC1(CCCCN1CCCCN1C(=O)c3ccccc3C1=O)C2
InChIInChI=1S/C27H32N2O3/c1-32-22-11-10-21-19-27(14-12-20(21)18-22)13-4-5-15-28(27)16-6-7-17-29-25(30)23-8-2-3-9-24(23)26(29)31/h2-3,8-11,18H,4-7,12-17,19H2,1H3
InChIKeyJBFQCPSVQNKNDH-UHFFFAOYSA-N
XLogP4.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-[7-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)-4,4-diphenylheptyl]propanamide
CID 19045654
3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 71913145
1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
CID 23361189
7-[(2-chlorophenyl)methoxy]-1'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine];hydrochloride
CID 23361140
2-[4-[(4aR)-9-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]isoindole-1,3-dione
CID 11327592
6-methoxy-1'-[3-(2-methylphenyl)propyl]spiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 46180947
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
5,6,7,8-tetrahydronaphthalen-2-yl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 110493689
2-[4-[4-(2,4-dimethoxyphenyl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 67551931
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione (CID 67707255) is 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione is COc1ccc2c(c1)CCC1(CCCCN1CCCCN1C(=O)c3ccccc3C1=O)C2.
What is the InChIKey of 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione?
The InChIKey is JBFQCPSVQNKNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-32-22-11-10-21-19-27(14-12-20(21)18-22)13-4-5-15-28(27)16-6-7-17-29-25(30)23-8-2-3-9-24(23)26(29)31/h2-3,8-11,18H,4-7,12-17,19H2,1H3.
What are the key properties of 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione?
2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione has a molecular weight of 432.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]-1'-yl)butyl]isoindole-1,3-dione is sourced from PubChem (CID 67707255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).