1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone

C26H37N7O — CID 57443041

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCN(C)c1cccc(-c2cnc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cn2)c1
InChIInChI=1S/C26H37N7O/c1-29(2)23-8-3-5-21(17-23)24-18-28-25(19-27-24)32-11-9-30(10-12-32)20-26(34)33-15-13-31(14-16-33)22-6-4-7-22/h3,5,8,17-19,22H,4,6-7,9-16,20H2,1-2H3
InChIKeyDRVBFBPUJHVFKF-UHFFFAOYSA-N
MW463.63 g/mol
LogP2.03
Rot. Bonds6

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 57443041) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
PubChem CID57443041
Molecular FormulaC26H37N7O
Molecular Weight463.63 g/mol
Exact Mass463.31
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCN(C)c1cccc(-c2cnc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cn2)c1
InChIInChI=1S/C26H37N7O/c1-29(2)23-8-3-5-21(17-23)24-18-28-25(19-27-24)32-11-9-30(10-12-32)20-26(34)33-15-13-31(14-16-33)22-6-4-7-22/h3,5,8,17-19,22H,4,6-7,9-16,20H2,1-2H3
InChIKeyDRVBFBPUJHVFKF-UHFFFAOYSA-N
XLogP2.03
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone (CID 57443041) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone is CN(C)c1cccc(-c2cnc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cn2)c1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is DRVBFBPUJHVFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O/c1-29(2)23-8-3-5-21(17-23)24-18-28-25(19-27-24)32-11-9-30(10-12-32)20-26(34)33-15-13-31(14-16-33)22-6-4-7-22/h3,5,8,17-19,22H,4,6-7,9-16,20H2,1-2H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 463.63 g/mol, XLogP of 2.03, 6 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-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57443041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).