methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate

C24H25N3O4 — CID 71704479

IUPACmethyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)CC1
InChIInChI=1S/C24H25N3O4/c1-31-24(30)15-17-11-13-26(14-12-17)23(29)16-27-22(28)10-9-21(25-27)20-8-4-6-18-5-2-3-7-19(18)20/h2-10,17H,11-16H2,1H3
InChIKeyOTTOFNAJWFQPIP-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.87
Rot. Bonds5

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

methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate (PubChem CID 71704479) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate
PubChem CID71704479
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Namemethyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)CC1
InChIInChI=1S/C24H25N3O4/c1-31-24(30)15-17-11-13-26(14-12-17)23(29)16-27-22(28)10-9-21(25-27)20-8-4-6-18-5-2-3-7-19(18)20/h2-10,17H,11-16H2,1H3
InChIKeyOTTOFNAJWFQPIP-UHFFFAOYSA-N
XLogP2.87
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate with MolForge

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Related Compounds

6-naphthalen-1-yl-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 52899075
methyl (2S)-3-methyl-2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoate
CID 91640855
6-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7671966
1-[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51054227
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
methyl 2-[(3R)-1-(naphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]acetate
CID 97284758
6-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671973
2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371090
6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7671838
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-(4-ethylphenyl)pyridazin-3-one
CID 121051013
methyl 2-[1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoyl]piperidin-4-yl]acetate
CID 71702347
ethyl 2-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376514

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate (CID 71704479) is methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)CC1.
What is the InChIKey of methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate?
The InChIKey is OTTOFNAJWFQPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-31-24(30)15-17-11-13-26(14-12-17)23(29)16-27-22(28)10-9-21(25-27)20-8-4-6-18-5-2-3-7-19(18)20/h2-10,17H,11-16H2,1H3.
What are the key properties of methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate?
methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate has a molecular weight of 419.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]piperidin-4-yl]acetate is sourced from PubChem (CID 71704479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).