5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one

C18H31N5O2 — CID 70745769

IUPAC5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one
SMILESCCN1CCC(NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1
InChIInChI=1S/C18H31N5O2/c1-3-22-8-5-15(6-9-22)19-7-4-17-14-23(10-11-25-17)16-12-18(24)21(2)20-13-16/h12-13,15,17,19H,3-11,14H2,1-2H3
InChIKeyNAGYSMPVWXGBGU-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.45
Rot. Bonds6

About 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one

5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one (PubChem CID 70745769) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one
PubChem CID70745769
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one
SMILESCCN1CCC(NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1
InChIInChI=1S/C18H31N5O2/c1-3-22-8-5-15(6-9-22)19-7-4-17-14-23(10-11-25-17)16-12-18(24)21(2)20-13-16/h12-13,15,17,19H,3-11,14H2,1-2H3
InChIKeyNAGYSMPVWXGBGU-UHFFFAOYSA-N
XLogP0.45
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-(4-{[(1-methyl-2-morpholin-4-ylethyl)amino]methyl}piperidin-1-yl)pyridazin-3(2H)-one
CID 45229474
1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-4-piperidinecarboxamide
CID 56891455
N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-1-piperidinecarboxamide
CID 70756598
2-[2-[2-(Aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72893567
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 53202089
N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202161
1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)-N-[3-(morpholin-4-YL)propyl]piperidine-3-carboxamide
CID 53203905
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylbutanamide
CID 91911848
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylpropanamide
CID 91924078
2-Methoxy-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}acetamide
CID 91924087

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one (CID 70745769) is 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one is CCN1CCC(NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1.
What is the InChIKey of 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one?
The InChIKey is NAGYSMPVWXGBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-3-22-8-5-15(6-9-22)19-7-4-17-14-23(10-11-25-17)16-12-18(24)21(2)20-13-16/h12-13,15,17,19H,3-11,14H2,1-2H3.
What are the key properties of 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one?
5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one has a molecular weight of 349.48 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 70745769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).