ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate

C16H23N3O4 — CID 70731385

IUPACethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)Cn1nc(C)ccc1=O
InChIInChI=1S/C16H23N3O4/c1-3-23-16(22)10-13-6-4-5-9-18(13)15(21)11-19-14(20)8-7-12(2)17-19/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyZMANEVHCDLIEGL-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.89
Rot. Bonds5

About ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate

ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate (PubChem CID 70731385) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate
PubChem CID70731385
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nameethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1C(=O)Cn1nc(C)ccc1=O
InChIInChI=1S/C16H23N3O4/c1-3-23-16(22)10-13-6-4-5-9-18(13)15(21)11-19-14(20)8-7-12(2)17-19/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyZMANEVHCDLIEGL-UHFFFAOYSA-N
XLogP0.89
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95762482
6-methyl-2-[2-oxo-2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 125008421
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 94182934
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
ethyl 3-[2-(2-ethoxy-2-oxoethyl)pyrrolidin-1-yl]-3-oxopropanoate
CID 139663966
ethyl 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-2-yl]acetate
CID 70735433
2-[2-[(4aS,9aS)-4a-methyl-3,4,5,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 110141038
2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide
CID 110134599
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
2-[2-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 124997560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate (CID 70731385) is ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1C(=O)Cn1nc(C)ccc1=O.
What is the InChIKey of ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate?
The InChIKey is ZMANEVHCDLIEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-23-16(22)10-13-6-4-5-9-18(13)15(21)11-19-14(20)8-7-12(2)17-19/h7-8,13H,3-6,9-11H2,1-2H3.
What are the key properties of ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate?
ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate has a molecular weight of 321.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate is sourced from PubChem (CID 70731385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).