4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

C17H26N4O3 — CID 126863858

IUPAC4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(=O)n(CC2CCN(C(=O)NCC3CCCO3)CC2)n1
InChIInChI=1S/C17H26N4O3/c1-13-4-5-16(22)21(19-13)12-14-6-8-20(9-7-14)17(23)18-11-15-3-2-10-24-15/h4-5,14-15H,2-3,6-12H2,1H3,(H,18,23)
InChIKeyVWLQGYLKAQTUQN-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.15
Rot. Bonds4

About 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 126863858) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID126863858
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(=O)n(CC2CCN(C(=O)NCC3CCCO3)CC2)n1
InChIInChI=1S/C17H26N4O3/c1-13-4-5-16(22)21(19-13)12-14-6-8-20(9-7-14)17(23)18-11-15-3-2-10-24-15/h4-5,14-15H,2-3,6-12H2,1H3,(H,18,23)
InChIKeyVWLQGYLKAQTUQN-UHFFFAOYSA-N
XLogP1.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-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

N-(oxolan-2-ylmethyl)-4-[[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]methyl]piperidine-1-carboxamide
CID 126863153
N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126944737
6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 55156072
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 50809703
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
4-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 50789234
6-methyl-2-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863870
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 53299079
4-[2-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126864129

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (CID 126863858) is 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is Cc1ccc(=O)n(CC2CCN(C(=O)NCC3CCCO3)CC2)n1.
What is the InChIKey of 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is VWLQGYLKAQTUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13-4-5-16(22)21(19-13)12-14-6-8-20(9-7-14)17(23)18-11-15-3-2-10-24-15/h4-5,14-15H,2-3,6-12H2,1H3,(H,18,23).
What are the key properties of 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126863858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).