(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone

C18H28N4O — CID 84574061

IUPAC(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCC1CC(C)CN(C(=O)c2cccc(N3CCN(C)CC3)n2)C1
InChIInChI=1S/C18H28N4O/c1-14-11-15(2)13-22(12-14)18(23)16-5-4-6-17(19-16)21-9-7-20(3)8-10-21/h4-6,14-15H,7-13H2,1-3H3
InChIKeyVIIKENWQJVFPHO-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.95
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone

(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 84574061) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID84574061
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCC1CC(C)CN(C(=O)c2cccc(N3CCN(C)CC3)n2)C1
InChIInChI=1S/C18H28N4O/c1-14-11-15(2)13-22(12-14)18(23)16-5-4-6-17(19-16)21-9-7-20(3)8-10-21/h4-6,14-15H,7-13H2,1-3H3
InChIKeyVIIKENWQJVFPHO-UHFFFAOYSA-N
XLogP1.95
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone with MolForge

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573681
1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 84574180
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 136554612
[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 166259892
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576814
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(2-methylphenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 68654981
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone (CID 84574061) is (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone is CC1CC(C)CN(C(=O)c2cccc(N3CCN(C)CC3)n2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is VIIKENWQJVFPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-11-15(2)13-22(12-14)18(23)16-5-4-6-17(19-16)21-9-7-20(3)8-10-21/h4-6,14-15H,7-13H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 316.45 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 84574061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).