2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one

C26H42N4O3 — CID 143404259

IUPAC2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(CC(=O)N2CCN(C(CC)CC)CC2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H42N4O3/c1-5-22(6-2)28-16-18-29(19-17-28)25(31)20-27-12-14-30(15-13-27)26(32)24(7-3)21-8-10-23(33-4)11-9-21/h8-11,22,24H,5-7,12-20H2,1-4H3
InChIKeyCIKZLAVXSXJNPU-UHFFFAOYSA-N
MW458.65 g/mol
LogP2.67
Rot. Bonds9

About 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one

2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one (PubChem CID 143404259) has the molecular formula C26H42N4O3 and a molecular weight of 458.65 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one
PubChem CID143404259
Molecular FormulaC26H42N4O3
Molecular Weight458.65 g/mol
Exact Mass458.33
IUPAC Name2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(CC(=O)N2CCN(C(CC)CC)CC2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H42N4O3/c1-5-22(6-2)28-16-18-29(19-17-28)25(31)20-27-12-14-30(15-13-27)26(32)24(7-3)21-8-10-23(33-4)11-9-21/h8-11,22,24H,5-7,12-20H2,1-4H3
InChIKeyCIKZLAVXSXJNPU-UHFFFAOYSA-N
XLogP2.67
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

(2R)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 25383842
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 55505681
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)butan-1-one
CID 110023554
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
CID 57443139
N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706
N-[bis(4-methoxyphenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 55387522
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
CID 108995948
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 34932262

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one (CID 143404259) is 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one is CCC(C(=O)N1CCN(CC(=O)N2CCN(C(CC)CC)CC2)CC1)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one?
The InChIKey is CIKZLAVXSXJNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O3/c1-5-22(6-2)28-16-18-29(19-17-28)25(31)20-27-12-14-30(15-13-27)26(32)24(7-3)21-8-10-23(33-4)11-9-21/h8-11,22,24H,5-7,12-20H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one?
2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one has a molecular weight of 458.65 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 143404259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).