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

C19H28N4O2S — CID 128985016

IUPAC5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C2CCCN(CCc3cccs3)C2)c(=O)c1
InChIInChI=1S/C19H28N4O2S/c1-21(10-11-25-2)17-13-19(24)23(20-14-17)16-5-3-8-22(15-16)9-7-18-6-4-12-26-18/h4,6,12-14,16H,3,5,7-11,15H2,1-2H3
InChIKeyUWGASLBRZWUNAM-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.27
Rot. Bonds8

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

5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one (PubChem CID 128985016) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one
PubChem CID128985016
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one
SMILESCOCCN(C)c1cnn(C2CCCN(CCc3cccs3)C2)c(=O)c1
InChIInChI=1S/C19H28N4O2S/c1-21(10-11-25-2)17-13-19(24)23(20-14-17)16-5-3-8-22(15-16)9-7-18-6-4-12-26-18/h4,6,12-14,16H,3,5,7-11,15H2,1-2H3
InChIKeyUWGASLBRZWUNAM-UHFFFAOYSA-N
XLogP2.27
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one with MolForge

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Related Compounds

5-[2-methoxyethyl(methyl)amino]-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridazin-3-one
CID 128981240
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
2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride
CID 120857935
2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 122139461
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
2-[3-(cyclopropylamino)propyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394769
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 129323669
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
(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090041
2-[2-(2-aminocyclopentyl)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394778
3,5-dimethyl-1-[1-(2-thiophen-2-ylethyl)azetidin-3-yl]pyrazole
CID 56781747

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one (CID 128985016) is 5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one is COCCN(C)c1cnn(C2CCCN(CCc3cccs3)C2)c(=O)c1.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is UWGASLBRZWUNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-21(10-11-25-2)17-13-19(24)23(20-14-17)16-5-3-8-22(15-16)9-7-18-6-4-12-26-18/h4,6,12-14,16H,3,5,7-11,15H2,1-2H3.
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one?
5-[2-methoxyethyl(methyl)amino]-2-[1-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one has a molecular weight of 376.53 g/mol, XLogP of 2.27, 8 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-(2-thiophen-2-ylethyl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 128985016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).