(3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone

C19H24N4O2 — CID 124996699

IUPAC(3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
SMILESCNc1ccc(C[C@H]2CCCN(C(=O)c3cccc(OC)c3)C2)nn1
InChIInChI=1S/C19H24N4O2/c1-20-18-9-8-16(21-22-18)11-14-5-4-10-23(13-14)19(24)15-6-3-7-17(12-15)25-2/h3,6-9,12,14H,4-5,10-11,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyQVATUDOBASTYTM-CQSZACIVSA-N
MW340.43 g/mol
LogP2.62
Rot. Bonds5

About (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone

(3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone (PubChem CID 124996699) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
PubChem CID124996699
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
SMILESCNc1ccc(C[C@H]2CCCN(C(=O)c3cccc(OC)c3)C2)nn1
InChIInChI=1S/C19H24N4O2/c1-20-18-9-8-16(21-22-18)11-14-5-4-10-23(13-14)19(24)15-6-3-7-17(12-15)25-2/h3,6-9,12,14H,4-5,10-11,13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyQVATUDOBASTYTM-CQSZACIVSA-N
XLogP2.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-methoxyphenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245494
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 118741492
(3-methoxyphenyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
CID 124954356
(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245492
(3-methoxyphenyl)-[3-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 122132316
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42461601
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110149381

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone (CID 124996699) is (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone is CNc1ccc(C[C@H]2CCCN(C(=O)c3cccc(OC)c3)C2)nn1.
What is the InChIKey of (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is QVATUDOBASTYTM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-20-18-9-8-16(21-22-18)11-14-5-4-10-23(13-14)19(24)15-6-3-7-17(12-15)25-2/h3,6-9,12,14H,4-5,10-11,13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone?
(3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124996699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).