[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone

C13H20N4O — CID 113439400

IUPAC[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESCNCCC1CCCCN1C(=O)c1ccnnc1
InChIInChI=1S/C13H20N4O/c1-14-7-6-12-4-2-3-9-17(12)13(18)11-5-8-15-16-10-11/h5,8,10,12,14H,2-4,6-7,9H2,1H3
InChIKeyOADWYMDYGGHEII-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.08
Rot. Bonds4

About [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone

[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 113439400) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID113439400
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESCNCCC1CCCCN1C(=O)c1ccnnc1
InChIInChI=1S/C13H20N4O/c1-14-7-6-12-4-2-3-9-17(12)13(18)11-5-8-15-16-10-11/h5,8,10,12,14H,2-4,6-7,9H2,1H3
InChIKeyOADWYMDYGGHEII-UHFFFAOYSA-N
XLogP1.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 79217054
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100880
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 114374414
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 127245086
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone (CID 113439400) is [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone is CNCCC1CCCCN1C(=O)c1ccnnc1.
What is the InChIKey of [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is OADWYMDYGGHEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-7-6-12-4-2-3-9-17(12)13(18)11-5-8-15-16-10-11/h5,8,10,12,14H,2-4,6-7,9H2,1H3.
What are the key properties of [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone?
[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 113439400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).