6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

C17H26N4O3 — CID 70743743

IUPAC6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESC[C@@H]1CN(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H26N4O3/c1-12-10-21(11-13(2)24-12)14-6-8-20(9-7-14)17(23)15-4-5-16(22)19(3)18-15/h4-5,12-14H,6-11H2,1-3H3/t12-,13+
InChIKeyPMZGVIZPESVVPK-BETUJISGSA-N
MW334.42 g/mol
LogP0.49
Rot. Bonds2

About 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 70743743) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID70743743
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESC[C@@H]1CN(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H26N4O3/c1-12-10-21(11-13(2)24-12)14-6-8-20(9-7-14)17(23)15-4-5-16(22)19(3)18-15/h4-5,12-14H,6-11H2,1-3H3/t12-,13+
InChIKeyPMZGVIZPESVVPK-BETUJISGSA-N
XLogP0.49
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one 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-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 118782933
6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 51327441
6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
CID 121066845
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
6-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 80707142
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 47162984
6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121197470
2-methyl-6-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 90539797
6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
6-(4-benzylsulfonylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121022762

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 70743743) is 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is C[C@@H]1CN(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)C[C@H](C)O1.
What is the InChIKey of 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is PMZGVIZPESVVPK-BETUJISGSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-10-21(11-13(2)24-12)14-6-8-20(9-7-14)17(23)15-4-5-16(22)19(3)18-15/h4-5,12-14H,6-11H2,1-3H3/t12-,13+.
What are the key properties of 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 334.42 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 70743743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).