2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone

C30H38N4O2 — CID 10791125

IUPAC2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cc(C)c(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c(C)c1
InChIInChI=1S/C30H38N4O2/c1-22-18-23(2)30(24(3)19-22)34-16-14-33(15-17-34)29(35)21-36-26-9-8-25-6-5-7-28(27(25)20-26)32-12-10-31(4)11-13-32/h5-9,18-20H,10-17,21H2,1-4H3
InChIKeyCPPNLMBHDVESPV-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.24
Rot. Bonds5

About 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone

2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 10791125) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
PubChem CID10791125
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1cc(C)c(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c(C)c1
InChIInChI=1S/C30H38N4O2/c1-22-18-23(2)30(24(3)19-22)34-16-14-33(15-17-34)29(35)21-36-26-9-8-25-6-5-7-28(27(25)20-26)32-12-10-31(4)11-13-32/h5-9,18-20H,10-17,21H2,1-4H3
InChIKeyCPPNLMBHDVESPV-UHFFFAOYSA-N
XLogP4.24
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 19066195
1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyethanone
CID 10649124
4-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3,5-dimethylbenzaldehyde
CID 2052205
2-(3-butoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 4733176
2-(1,3-benzodioxol-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 17310271
2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 28561862
[8-(4-methylpiperazin-1-yl)naphthalen-2-yl] 4-chlorobenzoate
CID 18967509
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
CID 4741117
2-(4-methoxyphenyl)-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
CID 113076293
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 112791473
1-methyl-4-[7-[3-(6-methyl-2-pyridinyl)propoxy]naphthalen-1-yl]piperazine
CID 22115685

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone (CID 10791125) is 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone is Cc1cc(C)c(N2CCN(C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)CC2)c(C)c1.
What is the InChIKey of 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is CPPNLMBHDVESPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-22-18-23(2)30(24(3)19-22)34-16-14-33(15-17-34)29(35)21-36-26-9-8-25-6-5-7-28(27(25)20-26)32-12-10-31(4)11-13-32/h5-9,18-20H,10-17,21H2,1-4H3.
What are the key properties of 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone?
2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 486.66 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 10791125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).