10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one

C22H26N2O — CID 46843085

IUPAC10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3c1CCCC3)Cc1c(CN3CCCCC3)cccc1-2
InChIInChI=1S/C22H26N2O/c25-22-18-9-3-2-8-16(18)20-13-19-15(14-24-11-4-1-5-12-24)7-6-10-17(19)21(20)23-22/h6-7,10H,1-5,8-9,11-14H2,(H,23,25)
InChIKeyHLWLCZOBOMCRBP-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.81
Rot. Bonds2

About 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one

10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 46843085) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
PubChem CID46843085
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3c1CCCC3)Cc1c(CN3CCCCC3)cccc1-2
InChIInChI=1S/C22H26N2O/c25-22-18-9-3-2-8-16(18)20-13-19-15(14-24-11-4-1-5-12-24)7-6-10-17(19)21(20)23-22/h6-7,10H,1-5,8-9,11-14H2,(H,23,25)
InChIKeyHLWLCZOBOMCRBP-UHFFFAOYSA-N
XLogP3.81
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one with MolForge

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Related Compounds

10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
CID 59535430
10-(diethylaminomethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
CID 46843522
10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol
CID 68572179
4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115103996
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
1-[(3-methylazulen-1-yl)methyl]piperidine
CID 101178026
5-hydroxy-8-methyl-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 23287798
6-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 170720086
1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole
CID 146317920
2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
CID 139958917
3-cyclohexyl-2-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-1H-indole-6-carboxylic acid
CID 141227695
14-(carboxymethyl)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxylic acid
CID 10358936

Frequently Asked Questions

What is the IUPAC name of 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one (CID 46843085) is 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one is O=c1[nH]c2c(c3c1CCCC3)Cc1c(CN3CCCCC3)cccc1-2.
What is the InChIKey of 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is HLWLCZOBOMCRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22-18-9-3-2-8-16(18)20-13-19-15(14-24-11-4-1-5-12-24)7-6-10-17(19)21(20)23-22/h6-7,10H,1-5,8-9,11-14H2,(H,23,25).
What are the key properties of 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one?
10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 334.46 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 46843085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).