1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one

C17H21N3O — CID 153329882

IUPAC1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one
SMILESCCCc1cc2cc(N3CCN(C)C(=O)C3)ccc2cn1
InChIInChI=1S/C17H21N3O/c1-3-4-15-9-14-10-16(6-5-13(14)11-18-15)20-8-7-19(2)17(21)12-20/h5-6,9-11H,3-4,7-8,12H2,1-2H3
InChIKeyQXTRRUTURMMGTP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.47
Rot. Bonds3

About 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one

1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one (PubChem CID 153329882) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one
PubChem CID153329882
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one
SMILESCCCc1cc2cc(N3CCN(C)C(=O)C3)ccc2cn1
InChIInChI=1S/C17H21N3O/c1-3-4-15-9-14-10-16(6-5-13(14)11-18-15)20-8-7-19(2)17(21)12-20/h5-6,9-11H,3-4,7-8,12H2,1-2H3
InChIKeyQXTRRUTURMMGTP-UHFFFAOYSA-N
XLogP2.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one (CID 153329882) is 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one is CCCc1cc2cc(N3CCN(C)C(=O)C3)ccc2cn1.
What is the InChIKey of 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one?
The InChIKey is QXTRRUTURMMGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-4-15-9-14-10-16(6-5-13(14)11-18-15)20-8-7-19(2)17(21)12-20/h5-6,9-11H,3-4,7-8,12H2,1-2H3.
What are the key properties of 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one?
1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propylisoquinolin-6-yl)piperazin-2-one is sourced from PubChem (CID 153329882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).