1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide

C20H33N5O2 — CID 53202226

IUPAC1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCN3CCCCC3)CC2)cc1=O
InChIInChI=1S/C20H33N5O2/c1-2-9-25-19(26)15-18(16-22-25)24-12-6-17(7-13-24)20(27)21-8-14-23-10-4-3-5-11-23/h15-17H,2-14H2,1H3,(H,21,27)
InChIKeyYSDYBXDEBSLLSP-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.47
Rot. Bonds7

About 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide

1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 53202226) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID53202226
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCN3CCCCC3)CC2)cc1=O
InChIInChI=1S/C20H33N5O2/c1-2-9-25-19(26)15-18(16-22-25)24-12-6-17(7-13-24)20(27)21-8-14-23-10-4-3-5-11-23/h15-17H,2-14H2,1H3,(H,21,27)
InChIKeyYSDYBXDEBSLLSP-UHFFFAOYSA-N
XLogP1.47
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide with MolForge

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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-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
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
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-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (CID 53202226) is 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCCN3CCCCC3)CC2)cc1=O.
What is the InChIKey of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is YSDYBXDEBSLLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-2-9-25-19(26)15-18(16-22-25)24-12-6-17(7-13-24)20(27)21-8-14-23-10-4-3-5-11-23/h15-17H,2-14H2,1H3,(H,21,27).
What are the key properties of 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1-propylpyridazin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53202226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).