isoquinolin-6-yl(piperazin-1-yl)methanone

C14H15N3O — CID 110485113

IUPACisoquinolin-6-yl(piperazin-1-yl)methanone
SMILESO=C(c1ccc2cnccc2c1)N1CCNCC1
InChIInChI=1S/C14H15N3O/c18-14(17-7-5-15-6-8-17)12-1-2-13-10-16-4-3-11(13)9-12/h1-4,9-10,15H,5-8H2
InChIKeyKCNYJYWFPOYZQA-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.28
Rot. Bonds1

About isoquinolin-6-yl(piperazin-1-yl)methanone

isoquinolin-6-yl(piperazin-1-yl)methanone (PubChem CID 110485113) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is isoquinolin-6-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Nameisoquinolin-6-yl(piperazin-1-yl)methanone
PubChem CID110485113
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Nameisoquinolin-6-yl(piperazin-1-yl)methanone
SMILESO=C(c1ccc2cnccc2c1)N1CCNCC1
InChIInChI=1S/C14H15N3O/c18-14(17-7-5-15-6-8-17)12-1-2-13-10-16-4-3-11(13)9-12/h1-4,9-10,15H,5-8H2
InChIKeyKCNYJYWFPOYZQA-UHFFFAOYSA-N
XLogP1.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl(isoquinolin-6-yl)methanone
CID 110485142
1-[4-(4-isoquinolin-6-ylbenzoyl)piperazin-1-yl]ethanone
CID 86267920
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
1-[4-(4-isoquinolin-6-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 86268139
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
2-[6-(piperazine-1-carbonyl)naphthalen-2-yl]acetonitrile
CID 153338332
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073
isoquinoline-6-carboxamide;hydrochloride
CID 143697890
isoquinoline-7-carboxylic acid
CID 18468721
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446

Frequently Asked Questions

What is the IUPAC name of isoquinolin-6-yl(piperazin-1-yl)methanone?
The IUPAC name of isoquinolin-6-yl(piperazin-1-yl)methanone (CID 110485113) is isoquinolin-6-yl(piperazin-1-yl)methanone.
What is the SMILES notation for isoquinolin-6-yl(piperazin-1-yl)methanone?
The canonical SMILES for isoquinolin-6-yl(piperazin-1-yl)methanone is O=C(c1ccc2cnccc2c1)N1CCNCC1.
What is the InChIKey of isoquinolin-6-yl(piperazin-1-yl)methanone?
The InChIKey is KCNYJYWFPOYZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(17-7-5-15-6-8-17)12-1-2-13-10-16-4-3-11(13)9-12/h1-4,9-10,15H,5-8H2.
What are the key properties of isoquinolin-6-yl(piperazin-1-yl)methanone?
isoquinolin-6-yl(piperazin-1-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-6-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 110485113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).