5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one

C18H26N4O2S — CID 128981240

IUPAC5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C2CCCN(Cc3cccs3)C2)c(=O)c1
InChIInChI=1S/C18H26N4O2S/c1-20(8-9-24-2)16-11-18(23)22(19-12-16)15-5-3-7-21(13-15)14-17-6-4-10-25-17/h4,6,10-12,15H,3,5,7-9,13-14H2,1-2H3
InChIKeyAOWQGSQORBMKGU-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.22
Rot. Bonds7

About 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one

5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one (PubChem CID 128981240) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one
PubChem CID128981240
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C2CCCN(Cc3cccs3)C2)c(=O)c1
InChIInChI=1S/C18H26N4O2S/c1-20(8-9-24-2)16-11-18(23)22(19-12-16)15-5-3-7-21(13-15)14-17-6-4-10-25-17/h4,6,10-12,15H,3,5,7-9,13-14H2,1-2H3
InChIKeyAOWQGSQORBMKGU-UHFFFAOYSA-N
XLogP2.22
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one
CID 128985016
2-[1-(furan-2-ylmethyl)piperidin-3-yl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 128981232
5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one
CID 128970049
2-[1-[1-(1,3-benzoxazol-2-yl)ethyl]piperidin-3-yl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 128991965
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 129323669
2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride
CID 120857935
2-[(3R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 129324233
2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 122139461
N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
CID 45189224
5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one
CID 129323751
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790
3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 110219595

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one (CID 128981240) is 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one is COCCN(C)c1cnn(C2CCCN(Cc3cccs3)C2)c(=O)c1.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is AOWQGSQORBMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-20(8-9-24-2)16-11-18(23)22(19-12-16)15-5-3-7-21(13-15)14-17-6-4-10-25-17/h4,6,10-12,15H,3,5,7-9,13-14H2,1-2H3.
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one?
5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one has a molecular weight of 362.50 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 128981240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).