[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C27H31N5O2 — CID 30362919

IUPAC[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)nn1
InChIInChI=1S/C27H31N5O2/c1-34-25-10-6-5-9-23(25)24-11-12-26(29-28-24)31-15-13-21(14-16-31)27(33)32-19-17-30(18-20-32)22-7-3-2-4-8-22/h2-12,21H,13-20H2,1H3
InChIKeyOFUDQTDQCGNDOM-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.72
Rot. Bonds5

About [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 30362919) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID30362919
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)nn1
InChIInChI=1S/C27H31N5O2/c1-34-25-10-6-5-9-23(25)24-11-12-26(29-28-24)31-15-13-21(14-16-31)27(33)32-19-17-30(18-20-32)22-7-3-2-4-8-22/h2-12,21H,13-20H2,1H3
InChIKeyOFUDQTDQCGNDOM-UHFFFAOYSA-N
XLogP3.72
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-methoxyphenyl)piperazin-1-yl]-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121072002
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 30363003
(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071624
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071841
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121070472
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30361151
[4-(3-methoxyphenyl)piperazin-1-yl]-[1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 50771965
1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770334
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol
CID 95549741
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 121071983

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 30362919) is [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccccc1-c1ccc(N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)nn1.
What is the InChIKey of [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is OFUDQTDQCGNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-34-25-10-6-5-9-23(25)24-11-12-26(29-28-24)31-15-13-21(14-16-31)27(33)32-19-17-30(18-20-32)22-7-3-2-4-8-22/h2-12,21H,13-20H2,1H3.
What are the key properties of [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 457.58 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 30362919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).