5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one

C14H22N4O3 — CID 72917618

IUPAC5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCOC1CCCN(C(=O)Cn2ncc(N(C)C)cc2=O)C1
InChIInChI=1S/C14H22N4O3/c1-16(2)11-7-13(19)18(15-8-11)10-14(20)17-6-4-5-12(9-17)21-3/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyAPTRISXPUWCHGL-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.05
Rot. Bonds4

About 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 72917618) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID72917618
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCOC1CCCN(C(=O)Cn2ncc(N(C)C)cc2=O)C1
InChIInChI=1S/C14H22N4O3/c1-16(2)11-7-13(19)18(15-8-11)10-14(20)17-6-4-5-12(9-17)21-3/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyAPTRISXPUWCHGL-UHFFFAOYSA-N
XLogP-0.05
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]-5-piperidin-1-ylpyridazin-3(2H)-one
CID 72869235
2-[2-[2-(Aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72893567
2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97277531
5-(Dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 45195111
2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]-N-(1,4-dioxan-2-ylmethyl)-N-methylacetamide
CID 45212637
5-(dimethylamino)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28311086
propyl [4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]acetate
CID 28373896
5-(4-methyl-1-piperazinyl)-2-(tetrahydro-2-furanylmethyl)-3(2H)-pyridazinone
CID 45932616
2-(2-ethoxyethyl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56900434
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(2-methoxyethyl)-N-methylacetamide
CID 72875705

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 72917618) is 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is COC1CCCN(C(=O)Cn2ncc(N(C)C)cc2=O)C1.
What is the InChIKey of 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is APTRISXPUWCHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-16(2)11-7-13(19)18(15-8-11)10-14(20)17-6-4-5-12(9-17)21-3/h7-8,12H,4-6,9-10H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 294.35 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 72917618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).