1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]

C20H28N2 — CID 59613151

IUPAC1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCc1ccc2c(c1)C1(CCN([C@@H]3CC4CC[C@@H]3C4)CC1)CN2
InChIInChI=1S/C20H28N2/c1-14-2-5-18-17(10-14)20(13-21-18)6-8-22(9-7-20)19-12-15-3-4-16(19)11-15/h2,5,10,15-16,19,21H,3-4,6-9,11-13H2,1H3/t15?,16-,19-/m1/s1
InChIKeyIIJKAFUVMJICEY-HFLHWUEFSA-N
MW296.46 g/mol
LogP3.94
Rot. Bonds1

About 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]

1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 59613151) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID59613151
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCc1ccc2c(c1)C1(CCN([C@@H]3CC4CC[C@@H]3C4)CC1)CN2
InChIInChI=1S/C20H28N2/c1-14-2-5-18-17(10-14)20(13-21-18)6-8-22(9-7-20)19-12-15-3-4-16(19)11-15/h2,5,10,15-16,19,21H,3-4,6-9,11-13H2,1H3/t15?,16-,19-/m1/s1
InChIKeyIIJKAFUVMJICEY-HFLHWUEFSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] (CID 59613151) is 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] is Cc1ccc2c(c1)C1(CCN([C@@H]3CC4CC[C@@H]3C4)CC1)CN2.
What is the InChIKey of 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is IIJKAFUVMJICEY-HFLHWUEFSA-N. The full InChI is InChI=1S/C20H28N2/c1-14-2-5-18-17(10-14)20(13-21-18)6-8-22(9-7-20)19-12-15-3-4-16(19)11-15/h2,5,10,15-16,19,21H,3-4,6-9,11-13H2,1H3/t15?,16-,19-/m1/s1.
What are the key properties of 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 296.46 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 59613151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).