[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone

C24H32N4O2 — CID 46054196

IUPAC[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C24H32N4O2/c1-25-10-14-28(15-11-25)24(29)21-7-5-6-20(18-21)19-26-12-16-27(17-13-26)22-8-3-4-9-23(22)30-2/h3-9,18H,10-17,19H2,1-2H3
InChIKeyGIJHJPSXFAXSIO-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.40
Rot. Bonds5

About [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone

[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 46054196) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID46054196
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C24H32N4O2/c1-25-10-14-28(15-11-25)24(29)21-7-5-6-20(18-21)19-26-12-16-27(17-13-26)22-8-3-4-9-23(22)30-2/h3-9,18H,10-17,19H2,1-2H3
InChIKeyGIJHJPSXFAXSIO-UHFFFAOYSA-N
XLogP2.40
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9034189
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42850796
[3-[(2-methoxyphenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325253
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide
CID 59144676
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methanone
CID 110839312
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920571
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 46054196) is [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone is COc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCN(C)CC3)c2)CC1.
What is the InChIKey of [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GIJHJPSXFAXSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-25-10-14-28(15-11-25)24(29)21-7-5-6-20(18-21)19-26-12-16-27(17-13-26)22-8-3-4-9-23(22)30-2/h3-9,18H,10-17,19H2,1-2H3.
What are the key properties of [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 408.55 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 46054196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).