N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C20H33N5O3 — CID 53202161

IUPACN-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1=O
InChIInChI=1S/C20H33N5O3/c1-2-7-25-19(26)15-18(16-22-25)24-9-4-17(5-10-24)20(27)21-6-3-8-23-11-13-28-14-12-23/h15-17H,2-14H2,1H3,(H,21,27)
InChIKeySRVXYDZBIWLKEM-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.71
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202161) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202161
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1=O
InChIInChI=1S/C20H33N5O3/c1-2-7-25-19(26)15-18(16-22-25)24-9-4-17(5-10-24)20(27)21-6-3-8-23-11-13-28-14-12-23/h15-17H,2-14H2,1H3,(H,21,27)
InChIKeySRVXYDZBIWLKEM-UHFFFAOYSA-N
XLogP0.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 53202089
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
1-(6-oxo-1-propylpyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202148

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202161) is N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1=O.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is SRVXYDZBIWLKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-2-7-25-19(26)15-18(16-22-25)24-9-4-17(5-10-24)20(27)21-6-3-8-23-11-13-28-14-12-23/h15-17H,2-14H2,1H3,(H,21,27).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).