2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one

C17H29N5O2 — CID 70716614

IUPAC2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one
SMILESCN1CCC(NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1
InChIInChI=1S/C17H29N5O2/c1-20-7-4-14(5-8-20)18-6-3-16-13-22(9-10-24-16)15-11-17(23)21(2)19-12-15/h11-12,14,16,18H,3-10,13H2,1-2H3
InChIKeyAXBDKHXYFNMXPV-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.06
Rot. Bonds5

About 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one

2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one (PubChem CID 70716614) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one
PubChem CID70716614
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one
SMILESCN1CCC(NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1
InChIInChI=1S/C17H29N5O2/c1-20-7-4-14(5-8-20)18-6-3-16-13-22(9-10-24-16)15-11-17(23)21(2)19-12-15/h11-12,14,16,18H,3-10,13H2,1-2H3
InChIKeyAXBDKHXYFNMXPV-UHFFFAOYSA-N
XLogP0.06
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.06
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 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one (CID 70716614) is 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one is CN1CCC(NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1.
What is the InChIKey of 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one?
The InChIKey is AXBDKHXYFNMXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-20-7-4-14(5-8-20)18-6-3-16-13-22(9-10-24-16)15-11-17(23)21(2)19-12-15/h11-12,14,16,18H,3-10,13H2,1-2H3.
What are the key properties of 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one?
2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one has a molecular weight of 335.45 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[2-[(1-methylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]pyridazin-3-one is sourced from PubChem (CID 70716614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).