4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one

C23H30N4O2 — CID 91906989

IUPAC4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c28-22-15-21(16-24-25-22)27-10-4-7-20(17-27)14-23(29)26-11-8-19(9-12-26)13-18-5-2-1-3-6-18/h1-3,5-6,15-16,19-20H,4,7-14,17H2,(H,25,28)
InChIKeyBRQLGRUAMLILET-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.86
Rot. Bonds5

About 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one

4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 91906989) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID91906989
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c28-22-15-21(16-24-25-22)27-10-4-7-20(17-27)14-23(29)26-11-8-19(9-12-26)13-18-5-2-1-3-6-18/h1-3,5-6,15-16,19-20H,4,7-14,17H2,(H,25,28)
InChIKeyBRQLGRUAMLILET-UHFFFAOYSA-N
XLogP2.86
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 107229402
N-[(4-chlorophenyl)methyl]-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
CID 91906995
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72892602
(3R)-N-(1-benzylpiperidin-4-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115278
2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
CID 91917430
4-[(3R)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 95115266
4-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 53203838
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109240472
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
4-(4-propylazepan-1-yl)-1H-pyridazin-6-one
CID 114393178

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one (CID 91906989) is 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one is O=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is BRQLGRUAMLILET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-22-15-21(16-24-25-22)27-10-4-7-20(17-27)14-23(29)26-11-8-19(9-12-26)13-18-5-2-1-3-6-18/h1-3,5-6,15-16,19-20H,4,7-14,17H2,(H,25,28).
What are the key properties of 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one?
4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 394.52 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 91906989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).