2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide

C17H28N4O2 — CID 91917473

IUPAC2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CCCN(c2cnn(CC)c(=O)c2)C1
InChIInChI=1S/C17H28N4O2/c1-4-8-19(3)16(22)10-14-7-6-9-20(13-14)15-11-17(23)21(5-2)18-12-15/h11-12,14H,4-10,13H2,1-3H3
InChIKeyYBUKBBHALDEMQB-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.74
Rot. Bonds6

About 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide

2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide (PubChem CID 91917473) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide
PubChem CID91917473
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CCCN(c2cnn(CC)c(=O)c2)C1
InChIInChI=1S/C17H28N4O2/c1-4-8-19(3)16(22)10-14-7-6-9-20(13-14)15-11-17(23)21(5-2)18-12-15/h11-12,14H,4-10,13H2,1-3H3
InChIKeyYBUKBBHALDEMQB-UHFFFAOYSA-N
XLogP1.74
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-{4-[(1-propionyl-3-piperidinyl)carbonyl]-1-piperazinyl}-3(2H)-pyridazinone
CID 72906911
5-{4-[(1-acetyl-3-piperidinyl)carbonyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 72924136
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
4-[3-[2-(azepan-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 91917369
2-methyl-5-{3-[2-(4-methylpiperazino)-2-oxoethyl]piperidino}-3(2H)-pyridazinone
CID 91917387
2-Ethyl-5-{3-[2-(4-ethylpiperazin-1-YL)-2-oxoethyl]piperidin-1-YL}-2,3-dihydropyridazin-3-one
CID 91917457
N-Cyclopropyl-2-{1-[1-(cyclopropylmethyl)-6-oxo-16-dihydropyridazin-4-YL]piperidin-3-YL}acetamide
CID 91917542
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
N-butyl-N-methyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202047
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202050
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 53202063

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide (CID 91917473) is 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)CC1CCCN(c2cnn(CC)c(=O)c2)C1.
What is the InChIKey of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide?
The InChIKey is YBUKBBHALDEMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-8-19(3)16(22)10-14-7-6-9-20(13-14)15-11-17(23)21(5-2)18-12-15/h11-12,14H,4-10,13H2,1-3H3.
What are the key properties of 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide?
2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide has a molecular weight of 320.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 91917473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).