4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one

C34H43N5O2 — CID 25014606

IUPAC4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCC1C=CC(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC3CCN(Cc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C34H43N5O2/c1-27-12-14-29(15-13-27)26-37-20-22-38(23-21-37)32-24-35-39(30-10-6-3-7-11-30)34(40)33(32)41-31-16-18-36(19-17-31)25-28-8-4-2-5-9-28/h2-12,14,24,27,29,31H,13,15-23,25-26H2,1H3
InChIKeyFWBXDLWWBPVZHV-UHFFFAOYSA-N
MW553.75 g/mol
LogP5.00
Rot. Bonds8

About 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one

4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 25014606) has the molecular formula C34H43N5O2 and a molecular weight of 553.75 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID25014606
Molecular FormulaC34H43N5O2
Molecular Weight553.75 g/mol
Exact Mass553.34
IUPAC Name4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCC1C=CC(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC3CCN(Cc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C34H43N5O2/c1-27-12-14-29(15-13-27)26-37-20-22-38(23-21-37)32-24-35-39(30-10-6-3-7-11-30)34(40)33(32)41-31-16-18-36(19-17-31)25-28-8-4-2-5-9-28/h2-12,14,24,27,29,31H,13,15-23,25-26H2,1H3
InChIKeyFWBXDLWWBPVZHV-UHFFFAOYSA-N
XLogP5.00
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyloxy-2-phenyl-5-[4-(pyridin-3-ylmethylsulfonyl)piperazin-1-yl]pyridazin-3-one
CID 53318377
5-[4-[(2-chloro-3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxypyridazin-3-one
CID 70881027
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
4-benzylsulfanyl-5-[4-(2,3-dihydrofuran-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 70880918
5-[4-[(4-amino-3-methylphenyl)methylsulfanyl]piperazin-1-yl]-4-cyclopentyloxy-2-phenylpyridazin-3-one
CID 118351162
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
CID 25015274
5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
CID 25015563
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
4-(1-benzylpiperidin-4-yl)oxy-2-phenyl-5-[4-(3-phenylpropyl)piperazin-1-yl]pyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-(furan-3-ylmethyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(2-cyclohexylethoxy)-5-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one;5-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-4-propan-2-yloxypyridazin-3-one
CID 159076802
5-[4-[(2-ethyl-6-methylphenyl)methyl]piperazin-1-yl]-4-(2-methoxyethoxy)-2-phenylpyridazin-3-one
CID 145479481

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one (CID 25014606) is 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one is CC1C=CC(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OC3CCN(Cc4ccccc4)CC3)CC2)CC1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is FWBXDLWWBPVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O2/c1-27-12-14-29(15-13-27)26-37-20-22-38(23-21-37)32-24-35-39(30-10-6-3-7-11-30)34(40)33(32)41-31-16-18-36(19-17-31)25-28-8-4-2-5-9-28/h2-12,14,24,27,29,31H,13,15-23,25-26H2,1H3.
What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 553.75 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)oxy-5-[4-[(4-methylcyclohex-2-en-1-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 25014606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).