7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one

C15H18N2O — CID 156594946

IUPAC7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one
SMILESCC1CCN(C2=CC3C(=O)N=CC=C3C=C2)CC1
InChIInChI=1S/C15H18N2O/c1-11-5-8-17(9-6-11)13-3-2-12-4-7-16-15(18)14(12)10-13/h2-4,7,10-11,14H,5-6,8-9H2,1H3
InChIKeyMXEGSQALLABYMP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.33
Rot. Bonds1

About 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one

7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one (PubChem CID 156594946) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one.

Molecular Properties

Compound Name7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one
PubChem CID156594946
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one
SMILESCC1CCN(C2=CC3C(=O)N=CC=C3C=C2)CC1
InChIInChI=1S/C15H18N2O/c1-11-5-8-17(9-6-11)13-3-2-12-4-7-16-15(18)14(12)10-13/h2-4,7,10-11,14H,5-6,8-9H2,1H3
InChIKeyMXEGSQALLABYMP-UHFFFAOYSA-N
XLogP2.33
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
3-(4-methylpiperidin-1-yl)-1H-pyrazin-2-one
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3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
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2-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 83881985
N-[[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 82514954
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
4-(4-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-one
CID 4770992
2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136776183
5-amino-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
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3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one?
The IUPAC name of 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one (CID 156594946) is 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one.
What is the SMILES notation for 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one?
The canonical SMILES for 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one is CC1CCN(C2=CC3C(=O)N=CC=C3C=C2)CC1.
What is the InChIKey of 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one?
The InChIKey is MXEGSQALLABYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-8-17(9-6-11)13-3-2-12-4-7-16-15(18)14(12)10-13/h2-4,7,10-11,14H,5-6,8-9H2,1H3.
What are the key properties of 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one?
7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperidin-1-yl)-8aH-isoquinolin-1-one is sourced from PubChem (CID 156594946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).