2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C16H25N5O3 — CID 91831331

IUPAC2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1ncc(N2CCN(CC(=O)NCC3CCCO3)CC2)cc1=O
InChIInChI=1S/C16H25N5O3/c1-19-16(23)9-13(10-18-19)21-6-4-20(5-7-21)12-15(22)17-11-14-3-2-8-24-14/h9-10,14H,2-8,11-12H2,1H3,(H,17,22)
InChIKeyUCYOQLYDINGINJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.80
Rot. Bonds5

About 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 91831331) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID91831331
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1ncc(N2CCN(CC(=O)NCC3CCCO3)CC2)cc1=O
InChIInChI=1S/C16H25N5O3/c1-19-16(23)9-13(10-18-19)21-6-4-20(5-7-21)12-15(22)17-11-14-3-2-8-24-14/h9-10,14H,2-8,11-12H2,1H3,(H,17,22)
InChIKeyUCYOQLYDINGINJ-UHFFFAOYSA-N
XLogP-0.80
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124852044
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 137122893
2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 90561775
2-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124865666
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 90507559
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 60500146
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
N-(2,5-dimethylphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998269
2-methyl-5-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-one
CID 171992857
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27451963

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 91831331) is 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is Cn1ncc(N2CCN(CC(=O)NCC3CCCO3)CC2)cc1=O.
What is the InChIKey of 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UCYOQLYDINGINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-19-16(23)9-13(10-18-19)21-6-4-20(5-7-21)12-15(22)17-11-14-3-2-8-24-14/h9-10,14H,2-8,11-12H2,1H3,(H,17,22).
What are the key properties of 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of -0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 91831331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).