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

C29H35N5O2 — CID 30361199

IUPAC[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)N4CCN(CCc5ccccc5)CC4)CC3)nn2)cc1
InChIInChI=1S/C29H35N5O2/c1-36-26-9-7-24(8-10-26)27-11-12-28(31-30-27)33-17-14-25(15-18-33)29(35)34-21-19-32(20-22-34)16-13-23-5-3-2-4-6-23/h2-12,25H,13-22H2,1H3
InChIKeyOAGVHOYFCGJGIX-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.76
Rot. Bonds7

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

[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 30361199) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID30361199
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)N4CCN(CCc5ccccc5)CC4)CC3)nn2)cc1
InChIInChI=1S/C29H35N5O2/c1-36-26-9-7-24(8-10-26)27-11-12-28(31-30-27)33-17-14-25(15-18-33)29(35)34-21-19-32(20-22-34)16-13-23-5-3-2-4-6-23/h2-12,25H,13-22H2,1H3
InChIKeyOAGVHOYFCGJGIX-UHFFFAOYSA-N
XLogP3.76
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30365263
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30361151
[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 121071926
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55719269
(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121072082
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
1-(4-methoxyphenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108729975
[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90519445
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361507

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 30361199) is [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is COc1ccc(-c2ccc(N3CCC(C(=O)N4CCN(CCc5ccccc5)CC4)CC3)nn2)cc1.
What is the InChIKey of [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is OAGVHOYFCGJGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-36-26-9-7-24(8-10-26)27-11-12-28(31-30-27)33-17-14-25(15-18-33)29(35)34-21-19-32(20-22-34)16-13-23-5-3-2-4-6-23/h2-12,25H,13-22H2,1H3.
What are the key properties of [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone?
[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 485.63 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30361199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).