1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

C25H30N2O — CID 11624970

IUPAC1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H30N2O/c1-19(28)27-17-22-8-3-2-7-21(22)16-23(27)18-26-14-12-25(13-15-26)11-10-20-6-4-5-9-24(20)25/h2-9,23H,10-18H2,1H3
InChIKeyXSRIHAZBRFZRIH-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.94
Rot. Bonds2

About 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (PubChem CID 11624970) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
PubChem CID11624970
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H30N2O/c1-19(28)27-17-22-8-3-2-7-21(22)16-23(27)18-26-14-12-25(13-15-26)11-10-20-6-4-5-9-24(20)25/h2-9,23H,10-18H2,1H3
InChIKeyXSRIHAZBRFZRIH-UHFFFAOYSA-N
XLogP3.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The IUPAC name of 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone (CID 11624970) is 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone.
What is the SMILES notation for 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The canonical SMILES for 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
The InChIKey is XSRIHAZBRFZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-19(28)27-17-22-8-3-2-7-21(22)16-23(27)18-26-14-12-25(13-15-26)11-10-20-6-4-5-9-24(20)25/h2-9,23H,10-18H2,1H3.
What are the key properties of 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone?
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone has a molecular weight of 374.53 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone is sourced from PubChem (CID 11624970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).