methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate

C13H19N3O3 — CID 146317931

IUPACmethyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate
SMILESCOC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-10-5-7-15(8-6-10)11-3-4-12(17)16(14-11)9-13(18)19-2/h3-4,10H,5-9H2,1-2H3
InChIKeyLVLUTNQCFNIFBM-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.65
Rot. Bonds3

About methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate

methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate (PubChem CID 146317931) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate
PubChem CID146317931
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate
SMILESCOC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-10-5-7-15(8-6-10)11-3-4-12(17)16(14-11)9-13(18)19-2/h3-4,10H,5-9H2,1-2H3
InChIKeyLVLUTNQCFNIFBM-UHFFFAOYSA-N
XLogP0.65
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-(4-Methylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl)acetic acid
CID 56921788
Methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate
CID 59144352
Methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate
CID 59144402
Methyl 2-[3-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 90916202
6-(4-Methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 156423778
2-[3-(4-Methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetaldehyde
CID 156424062
2-Ethyl-6-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 167253866
methyl N-{[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl]acetyl}glycinate
CID 52900375
N-(2-methoxyethyl)-2-(3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 71705011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate (CID 146317931) is methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate is COC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O.
What is the InChIKey of methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate?
The InChIKey is LVLUTNQCFNIFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-5-7-15(8-6-10)11-3-4-12(17)16(14-11)9-13(18)19-2/h3-4,10H,5-9H2,1-2H3.
What are the key properties of methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate?
methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate has a molecular weight of 265.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 146317931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).