3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid

C25H40N6O4 — CID 162515355

IUPAC3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
SMILESCC(C)C.Cc1ccc(OC2CCN(C(=O)O)CC2)nn1.Cc1ccc(OC2CCNCC2)nn1
InChIInChI=1S/C11H15N3O3.C10H15N3O.C4H10/c1-8-2-3-10(13-12-8)17-9-4-6-14(7-5-9)11(15)16;1-8-2-3-10(13-12-8)14-9-4-6-11-7-5-9;1-4(2)3/h2-3,9H,4-7H2,1H3,(H,15,16);2-3,9,11H,4-7H2,1H3;4H,1-3H3
InChIKeyNDRFABFUJIHZOI-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.88
Rot. Bonds4

About 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid

3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid (PubChem CID 162515355) has the molecular formula C25H40N6O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
PubChem CID162515355
Molecular FormulaC25H40N6O4
Molecular Weight488.63 g/mol
Exact Mass488.31
IUPAC Name3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
SMILESCC(C)C.Cc1ccc(OC2CCN(C(=O)O)CC2)nn1.Cc1ccc(OC2CCNCC2)nn1
InChIInChI=1S/C11H15N3O3.C10H15N3O.C4H10/c1-8-2-3-10(13-12-8)17-9-4-6-14(7-5-9)11(15)16;1-8-2-3-10(13-12-8)14-9-4-6-11-7-5-9;1-4(2)3/h2-3,9H,4-7H2,1H3,(H,15,16);2-3,9,11H,4-7H2,1H3;4H,1-3H3
InChIKeyNDRFABFUJIHZOI-UHFFFAOYSA-N
XLogP3.88
TPSA122.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid 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

[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine
CID 71638804
1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 90559617
(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 90559517
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 100626242
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90559487
3-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 91627317
N-cyclopentyl-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638897
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 90559659

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid (CID 162515355) is 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid is CC(C)C.Cc1ccc(OC2CCN(C(=O)O)CC2)nn1.Cc1ccc(OC2CCNCC2)nn1.
What is the InChIKey of 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is NDRFABFUJIHZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3.C10H15N3O.C4H10/c1-8-2-3-10(13-12-8)17-9-4-6-14(7-5-9)11(15)16;1-8-2-3-10(13-12-8)14-9-4-6-11-7-5-9;1-4(2)3/h2-3,9H,4-7H2,1H3,(H,15,16);2-3,9,11H,4-7H2,1H3;4H,1-3H3.
What are the key properties of 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid?
3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 488.63 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 162515355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).