1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone

C27H38N6O2 — CID 57443003

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCCCOc1ccc(-c2cnc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cn2)cc1
InChIInChI=1S/C27H38N6O2/c1-2-18-35-24-8-6-22(7-9-24)25-19-29-26(20-28-25)32-12-10-30(11-13-32)21-27(34)33-16-14-31(15-17-33)23-4-3-5-23/h6-9,19-20,23H,2-5,10-18,21H2,1H3
InChIKeyIHVMDFNRLXWQDP-UHFFFAOYSA-N
MW478.64 g/mol
LogP2.75
Rot. Bonds8

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 57443003) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone
PubChem CID57443003
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCCCOc1ccc(-c2cnc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cn2)cc1
InChIInChI=1S/C27H38N6O2/c1-2-18-35-24-8-6-22(7-9-24)25-19-29-26(20-28-25)32-12-10-30(11-13-32)21-27(34)33-16-14-31(15-17-33)23-4-3-5-23/h6-9,19-20,23H,2-5,10-18,21H2,1H3
InChIKeyIHVMDFNRLXWQDP-UHFFFAOYSA-N
XLogP2.75
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone (CID 57443003) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone is CCCOc1ccc(-c2cnc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cn2)cc1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is IHVMDFNRLXWQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-2-18-35-24-8-6-22(7-9-24)25-19-29-26(20-28-25)32-12-10-30(11-13-32)21-27(34)33-16-14-31(15-17-33)23-4-3-5-23/h6-9,19-20,23H,2-5,10-18,21H2,1H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 478.64 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57443003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).