2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide

C21H25N5O3 — CID 126953472

IUPAC2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESCn1nccc(CN2CCC(Oc3cccc4c3ccn4CC(N)=O)CC2)c1=O
InChIInChI=1S/C21H25N5O3/c1-24-21(28)15(5-9-23-24)13-25-10-6-16(7-11-25)29-19-4-2-3-18-17(19)8-12-26(18)14-20(22)27/h2-5,8-9,12,16H,6-7,10-11,13-14H2,1H3,(H2,22,27)
InChIKeyZYFOGEKGASHAPT-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.26
Rot. Bonds6

About 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide

2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide (PubChem CID 126953472) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
PubChem CID126953472
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESCn1nccc(CN2CCC(Oc3cccc4c3ccn4CC(N)=O)CC2)c1=O
InChIInChI=1S/C21H25N5O3/c1-24-21(28)15(5-9-23-24)13-25-10-6-16(7-11-25)29-19-4-2-3-18-17(19)8-12-26(18)14-20(22)27/h2-5,8-9,12,16H,6-7,10-11,13-14H2,1H3,(H2,22,27)
InChIKeyZYFOGEKGASHAPT-UHFFFAOYSA-N
XLogP1.26
TPSA95.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953482
2-[4-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953471
2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420
2-[4-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953538
2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953459
2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953524
2-[4-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953596
2-[4-[1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953505
2-[4-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
2-[4-[1-(2-oxopiperidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953535
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953374
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide (CID 126953472) is 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide is Cn1nccc(CN2CCC(Oc3cccc4c3ccn4CC(N)=O)CC2)c1=O.
What is the InChIKey of 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
The InChIKey is ZYFOGEKGASHAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-24-21(28)15(5-9-23-24)13-25-10-6-16(7-11-25)29-19-4-2-3-18-17(19)8-12-26(18)14-20(22)27/h2-5,8-9,12,16H,6-7,10-11,13-14H2,1H3,(H2,22,27).
What are the key properties of 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide?
2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide is sourced from PubChem (CID 126953472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).