1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C18H29N5O3 — CID 53202089

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1=O
InChIInChI=1S/C18H29N5O3/c1-21-17(24)13-16(14-20-21)23-7-3-15(4-8-23)18(25)19-5-2-6-22-9-11-26-12-10-22/h13-15H,2-12H2,1H3,(H,19,25)
InChIKeyIQQAMJLANJHPMB-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.16
Rot. Bonds6

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 53202089) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID53202089
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1=O
InChIInChI=1S/C18H29N5O3/c1-21-17(24)13-16(14-20-21)23-7-3-15(4-8-23)18(25)19-5-2-6-22-9-11-26-12-10-22/h13-15H,2-12H2,1H3,(H,19,25)
InChIKeyIQQAMJLANJHPMB-UHFFFAOYSA-N
XLogP-0.16
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
2-methoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}butanamide
CID 70726045
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202050
4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202063
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
1-(1-Methyl-6-oxo-16-dihydropyridazin-4-YL)-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 53202084
2-Methyl-5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202114
1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53202116
2-Methyl-5-[4-(morpholine-4-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202128
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 53202135
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202143

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 53202089) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is Cn1ncc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is IQQAMJLANJHPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-21-17(24)13-16(14-20-21)23-7-3-15(4-8-23)18(25)19-5-2-6-22-9-11-26-12-10-22/h13-15H,2-12H2,1H3,(H,19,25).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).