6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine

C23H38N8 — CID 155531175

IUPAC6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)ncnc32)CC1
InChIInChI=1S/C23H38N8/c1-2-27-10-12-28(13-11-27)8-5-9-31-19-26-21-22(24-18-25-23(21)31)30-16-14-29(15-17-30)20-6-3-4-7-20/h18-20H,2-17H2,1H3
InChIKeyCQZSCSRWNNQHOV-UHFFFAOYSA-N
MW426.61 g/mol
LogP1.92
Rot. Bonds7

About 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine

6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine (PubChem CID 155531175) has the molecular formula C23H38N8 and a molecular weight of 426.61 g/mol. Its IUPAC name is 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine.

Molecular Properties

Compound Name6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine
PubChem CID155531175
Molecular FormulaC23H38N8
Molecular Weight426.61 g/mol
Exact Mass426.32
IUPAC Name6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)ncnc32)CC1
InChIInChI=1S/C23H38N8/c1-2-27-10-12-28(13-11-27)8-5-9-31-19-26-21-22(24-18-25-23(21)31)30-16-14-29(15-17-30)20-6-3-4-7-20/h18-20H,2-17H2,1H3
InChIKeyCQZSCSRWNNQHOV-UHFFFAOYSA-N
XLogP1.92
TPSA56.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
The IUPAC name of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine (CID 155531175) is 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine.
What is the SMILES notation for 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
The canonical SMILES for 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine is CCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)ncnc32)CC1.
What is the InChIKey of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
The InChIKey is CQZSCSRWNNQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N8/c1-2-27-10-12-28(13-11-27)8-5-9-31-19-26-21-22(24-18-25-23(21)31)30-16-14-29(15-17-30)20-6-3-4-7-20/h18-20H,2-17H2,1H3.
What are the key properties of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine has a molecular weight of 426.61 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine is sourced from PubChem (CID 155531175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).