5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one

C16H19N3O2 — CID 106538817

IUPAC5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
SMILESCOc1cccc2c(NC3CCC(=O)N(C)C3)nccc12
InChIInChI=1S/C16H19N3O2/c1-19-10-11(6-7-15(19)20)18-16-13-4-3-5-14(21-2)12(13)8-9-17-16/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18)
InChIKeyLSOBARDKRNIFQQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.28
Rot. Bonds3

About 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one

5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one (PubChem CID 106538817) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
PubChem CID106538817
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
SMILESCOc1cccc2c(NC3CCC(=O)N(C)C3)nccc12
InChIInChI=1S/C16H19N3O2/c1-19-10-11(6-7-15(19)20)18-16-13-4-3-5-14(21-2)12(13)8-9-17-16/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18)
InChIKeyLSOBARDKRNIFQQ-UHFFFAOYSA-N
XLogP2.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
CID 106538942
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537339
5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669595
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
CID 106538566
1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one
CID 64669994
N-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxamide
CID 134703000
N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
CID 106538850
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
5-[(5-methoxy-2-methyl-4-pyridinyl)amino]-1-methylpiperidin-2-one
CID 106660550

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one (CID 106538817) is 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one is COc1cccc2c(NC3CCC(=O)N(C)C3)nccc12.
What is the InChIKey of 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is LSOBARDKRNIFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-10-11(6-7-15(19)20)18-16-13-4-3-5-14(21-2)12(13)8-9-17-16/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one?
5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 106538817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).