1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C16H24N4O3 — CID 53202116

IUPAC1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCC3CCCO3)CC2)cc1=O
InChIInChI=1S/C16H24N4O3/c1-19-15(21)9-13(10-18-19)20-6-4-12(5-7-20)16(22)17-11-14-3-2-8-23-14/h9-10,12,14H,2-8,11H2,1H3,(H,17,22)
InChIKeyCCOZNIICEDFMEC-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.29
Rot. Bonds4

About 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53202116) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53202116
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCC3CCCO3)CC2)cc1=O
InChIInChI=1S/C16H24N4O3/c1-19-15(21)9-13(10-18-19)20-6-4-12(5-7-20)16(22)17-11-14-3-2-8-23-14/h9-10,12,14H,2-8,11H2,1H3,(H,17,22)
InChIKeyCCOZNIICEDFMEC-UHFFFAOYSA-N
XLogP0.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)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

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
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-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 53202153
N-(3-morpholin-4-ylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202161
N-(3-ethoxypropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202164
N-(2-methoxyethyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202193
N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202196
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylbutanamide
CID 91911848
2-Ethyl-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}butanamide
CID 91911849
2-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}-N-[2-(pyrrolidin-1-YL)ethyl]acetamide
CID 91917512

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 53202116) is 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is Cn1ncc(N2CCC(C(=O)NCC3CCCO3)CC2)cc1=O.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is CCOZNIICEDFMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19-15(21)9-13(10-18-19)20-6-4-12(5-7-20)16(22)17-11-14-3-2-8-23-14/h9-10,12,14H,2-8,11H2,1H3,(H,17,22).
What are the key properties of 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-4-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).