1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]

C21H30N2 — CID 59433436

IUPAC1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCc1ccc2c(c1)C1(CCN(C3CC4CCC(C4)C3)CC1)CN2
InChIInChI=1S/C21H30N2/c1-15-2-5-20-19(10-15)21(14-22-20)6-8-23(9-7-21)18-12-16-3-4-17(11-16)13-18/h2,5,10,16-18,22H,3-4,6-9,11-14H2,1H3
InChIKeyOPPNOEGRGLWTNP-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.33
Rot. Bonds1

About 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]

1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 59433436) has the molecular formula C21H30N2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID59433436
Molecular FormulaC21H30N2
Molecular Weight310.48 g/mol
Exact Mass310.24
IUPAC Name1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCc1ccc2c(c1)C1(CCN(C3CC4CCC(C4)C3)CC1)CN2
InChIInChI=1S/C21H30N2/c1-15-2-5-20-19(10-15)21(14-22-20)6-8-23(9-7-21)18-12-16-3-4-17(11-16)13-18/h2,5,10,16-18,22H,3-4,6-9,11-14H2,1H3
InChIKeyOPPNOEGRGLWTNP-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] (CID 59433436) is 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] is Cc1ccc2c(c1)C1(CCN(C3CC4CCC(C4)C3)CC1)CN2.
What is the InChIKey of 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is OPPNOEGRGLWTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-15-2-5-20-19(10-15)21(14-22-20)6-8-23(9-7-21)18-12-16-3-4-17(11-16)13-18/h2,5,10,16-18,22H,3-4,6-9,11-14H2,1H3.
What are the key properties of 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]?
1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 310.48 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 59433436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).