5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

C18H27N5O4 — CID 72846973

IUPAC5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)c1
InChIInChI=1S/C18H27N5O4/c1-20(2)15-11-16(24)23(19-12-15)13-17(25)21-5-3-14(4-6-21)18(26)22-7-9-27-10-8-22/h11-12,14H,3-10,13H2,1-2H3
InChIKeyDGAJCWPLDPAOSR-UHFFFAOYSA-N
MW377.45 g/mol
LogP-0.59
Rot. Bonds4

About 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 72846973) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID72846973
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)c1
InChIInChI=1S/C18H27N5O4/c1-20(2)15-11-16(24)23(19-12-15)13-17(25)21-5-3-14(4-6-21)18(26)22-7-9-27-10-8-22/h11-12,14H,3-10,13H2,1-2H3
InChIKeyDGAJCWPLDPAOSR-UHFFFAOYSA-N
XLogP-0.59
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one with MolForge

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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
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 53202089
2-Methyl-5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202114
5-[4-(4-Butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53202123
2-Methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
CID 53202124
2-Methyl-5-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202128
5-[4-(4-Methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202144
N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202161
2-Propyl-5-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202162
5-[4-[4-(Methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202169
5-{4-[(4-methylpiperidin-1-yl)carbonyl]piperidin-1-yl}-2-propylpyridazin-3(2H)-one
CID 53202194

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 72846973) is 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is CN(C)c1cnn(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is DGAJCWPLDPAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-20(2)15-11-16(24)23(19-12-15)13-17(25)21-5-3-14(4-6-21)18(26)22-7-9-27-10-8-22/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 377.45 g/mol, XLogP of -0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 72846973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).