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

C15H22N4O4 — CID 52900375

IUPACmethyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O
InChIInChI=1S/C15H22N4O4/c1-11-5-7-18(8-6-11)12-3-4-14(21)19(17-12)10-13(20)16-9-15(22)23-2/h3-4,11H,5-10H2,1-2H3,(H,16,20)
InChIKeyIRDPWDVEABVBCF-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.23
Rot. Bonds5

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

methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate (PubChem CID 52900375) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
PubChem CID52900375
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Namemethyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O
InChIInChI=1S/C15H22N4O4/c1-11-5-7-18(8-6-11)12-3-4-14(21)19(17-12)10-13(20)16-9-15(22)23-2/h3-4,11H,5-10H2,1-2H3,(H,16,20)
InChIKeyIRDPWDVEABVBCF-UHFFFAOYSA-N
XLogP-0.23
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate (CID 52900375) is methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate is COC(=O)CNC(=O)Cn1nc(N2CCC(C)CC2)ccc1=O.
What is the InChIKey of methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate?
The InChIKey is IRDPWDVEABVBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-11-5-7-18(8-6-11)12-3-4-14(21)19(17-12)10-13(20)16-9-15(22)23-2/h3-4,11H,5-10H2,1-2H3,(H,16,20).
What are the key properties of methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate?
methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate has a molecular weight of 322.37 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 52900375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).