1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]

C24H30N2O — CID 22012250

IUPAC1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCN(CCCCC2CNc3ccccc32)CC1
InChIInChI=1S/C24H30N2O/c1-3-10-22-20(8-1)18-27-24(22)12-15-26(16-13-24)14-6-5-7-19-17-25-23-11-4-2-9-21(19)23/h1-4,8-11,19,25H,5-7,12-18H2
InChIKeyQMBGDNQZCUFZHR-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.89
Rot. Bonds5

About 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]

1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 22012250) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID22012250
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc2c(c1)COC21CCN(CCCCC2CNc3ccccc32)CC1
InChIInChI=1S/C24H30N2O/c1-3-10-22-20(8-1)18-27-24(22)12-15-26(16-13-24)14-6-5-7-19-17-25-23-11-4-2-9-21(19)23/h1-4,8-11,19,25H,5-7,12-18H2
InChIKeyQMBGDNQZCUFZHR-UHFFFAOYSA-N
XLogP4.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] with MolForge

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Related Compounds

1'-(4-carbazol-9-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 72722918
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
CID 18700233
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
1-(4-fluorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol;oxalic acid
CID 22012237
1'-[4-(1,2-benzoxazol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 22012167
N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;dihydrochloride
CID 139949793
3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574811
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 80577284
4-(2,3-dihydro-1H-indol-3-yl)butanamide
CID 67613869
3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574620
1'-[(3,4-diethoxyphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 78321289
2-(4-chlorophenyl)-2-methyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)propanamide
CID 58685214

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 22012250) is 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc2c(c1)COC21CCN(CCCCC2CNc3ccccc32)CC1.
What is the InChIKey of 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is QMBGDNQZCUFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-3-10-22-20(8-1)18-27-24(22)12-15-26(16-13-24)14-6-5-7-19-17-25-23-11-4-2-9-21(19)23/h1-4,8-11,19,25H,5-7,12-18H2.
What are the key properties of 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 362.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(2,3-dihydro-1H-indol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 22012250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).