1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen

C20H30N2 — CID 162196145

IUPAC1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen
SMILES[H][H].c1ccc2c(c1)NCC21CCN(C2CCC3CCC2C3)CC1
InChIInChI=1S/C20H28N2.H2/c1-2-4-18-17(3-1)20(14-21-18)9-11-22(12-10-20)19-8-6-15-5-7-16(19)13-15;/h1-4,15-16,19,21H,5-14H2;1H
InChIKeyZQYPHJRXOOOJNR-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.27
Rot. Bonds1

About 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen

1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen (PubChem CID 162196145) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen.

Molecular Properties

Compound Name1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen
PubChem CID162196145
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen
SMILES[H][H].c1ccc2c(c1)NCC21CCN(C2CCC3CCC2C3)CC1
InChIInChI=1S/C20H28N2.H2/c1-2-4-18-17(3-1)20(14-21-18)9-11-22(12-10-20)19-8-6-15-5-7-16(19)13-15;/h1-4,15-16,19,21H,5-14H2;1H
InChIKeyZQYPHJRXOOOJNR-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen with MolForge

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Related Compounds

1'-[(1R,2R)-2-bicyclo[2.2.1]heptanyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 59613151
1'-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 59433508
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 158496894
N-[(1S)-1'-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
CID 160771427
1'-(3-bicyclo[3.2.1]octanyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 59433436
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen
CID 161093983
N-[(1R)-1'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433560

Frequently Asked Questions

What is the IUPAC name of 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen?
The IUPAC name of 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen (CID 162196145) is 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen.
What is the SMILES notation for 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen?
The canonical SMILES for 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen is [H][H].c1ccc2c(c1)NCC21CCN(C2CCC3CCC2C3)CC1.
What is the InChIKey of 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen?
The InChIKey is ZQYPHJRXOOOJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2.H2/c1-2-4-18-17(3-1)20(14-21-18)9-11-22(12-10-20)19-8-6-15-5-7-16(19)13-15;/h1-4,15-16,19,21H,5-14H2;1H.
What are the key properties of 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen?
1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen has a molecular weight of 298.47 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-bicyclo[3.2.1]octanyl)spiro[1,2-dihydroindole-3,4'-piperidine];molecular hydrogen is sourced from PubChem (CID 162196145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).