2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

C23H30N8O — CID 163345167

IUPAC2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCn1cnc2c(N3CCN(CC(=O)N4CCN(c5ccccc5)CC4)CC3)ncnc21
InChIInChI=1S/C23H30N8O/c1-2-28-18-26-21-22(28)24-17-25-23(21)31-10-8-27(9-11-31)16-20(32)30-14-12-29(13-15-30)19-6-4-3-5-7-19/h3-7,17-18H,2,8-16H2,1H3
InChIKeyKJYZMZGMMCBUFS-UHFFFAOYSA-N
MW434.55 g/mol
LogP1.32
Rot. Bonds5

About 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 163345167) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID163345167
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC Name2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCCn1cnc2c(N3CCN(CC(=O)N4CCN(c5ccccc5)CC4)CC3)ncnc21
InChIInChI=1S/C23H30N8O/c1-2-28-18-26-21-22(28)24-17-25-23(21)31-10-8-27(9-11-31)16-20(32)30-14-12-29(13-15-30)19-6-4-3-5-7-19/h3-7,17-18H,2,8-16H2,1H3
InChIKeyKJYZMZGMMCBUFS-UHFFFAOYSA-N
XLogP1.32
TPSA73.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
1-(4-phenylpiperazin-1-yl)-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154830256
9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine
CID 163344774
9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
CID 166601592
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90507503
2-(9-ethylpurin-6-yl)-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 155977098
2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 719503
2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile;dihydrochloride
CID 2916737
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-[4-[9-(2-methoxyethyl)purin-6-yl]piperazin-1-yl]ethanone
CID 166601299

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 163345167) is 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is CCn1cnc2c(N3CCN(CC(=O)N4CCN(c5ccccc5)CC4)CC3)ncnc21.
What is the InChIKey of 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is KJYZMZGMMCBUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-2-28-18-26-21-22(28)24-17-25-23(21)31-10-8-27(9-11-31)16-20(32)30-14-12-29(13-15-30)19-6-4-3-5-7-19/h3-7,17-18H,2,8-16H2,1H3.
What are the key properties of 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 434.55 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 163345167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).