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

C34H37N5O2 — CID 121071624

IUPAC(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)nn1
InChIInChI=1S/C34H37N5O2/c1-41-31-15-9-8-14-29(31)30-16-17-32(36-35-30)37-20-18-28(19-21-37)34(40)39-24-22-38(23-25-39)33(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-17,28,33H,18-25H2,1H3
InChIKeyCEFRHJLGNMABMG-UHFFFAOYSA-N
MW547.70 g/mol
LogP5.30
Rot. Bonds7

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

(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone (PubChem CID 121071624) has the molecular formula C34H37N5O2 and a molecular weight of 547.70 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
PubChem CID121071624
Molecular FormulaC34H37N5O2
Molecular Weight547.70 g/mol
Exact Mass547.29
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
SMILESCOc1ccccc1-c1ccc(N2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)nn1
InChIInChI=1S/C34H37N5O2/c1-41-31-15-9-8-14-29(31)30-16-17-32(36-35-30)37-20-18-28(19-21-37)34(40)39-24-22-38(23-25-39)33(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-17,28,33H,18-25H2,1H3
InChIKeyCEFRHJLGNMABMG-UHFFFAOYSA-N
XLogP5.30
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 30362919
[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-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 90514295
1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770334
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30361151
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071987
(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
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30362950

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone (CID 121071624) is (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone is COc1ccccc1-c1ccc(N2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)nn1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
The InChIKey is CEFRHJLGNMABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O2/c1-41-31-15-9-8-14-29(31)30-16-17-32(36-35-30)37-20-18-28(19-21-37)34(40)39-24-22-38(23-25-39)33(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-17,28,33H,18-25H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone has a molecular weight of 547.70 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 121071624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).