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

C28H39N5O — CID 58826279

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone
SMILESCN(C)c1cccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cc2)c1
InChIInChI=1S/C28H39N5O/c1-29(2)27-8-3-5-24(21-27)23-9-11-26(12-10-23)31-15-13-30(14-16-31)22-28(34)33-19-17-32(18-20-33)25-6-4-7-25/h3,5,8-12,21,25H,4,6-7,13-20,22H2,1-2H3
InChIKeyCSSBSFBDTKSYMJ-UHFFFAOYSA-N
MW461.65 g/mol
LogP3.24
Rot. Bonds6

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

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone (PubChem CID 58826279) has the molecular formula C28H39N5O and a molecular weight of 461.65 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone
PubChem CID58826279
Molecular FormulaC28H39N5O
Molecular Weight461.65 g/mol
Exact Mass461.32
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone
SMILESCN(C)c1cccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cc2)c1
InChIInChI=1S/C28H39N5O/c1-29(2)27-8-3-5-24(21-27)23-9-11-26(12-10-23)31-15-13-30(14-16-31)22-28(34)33-19-17-32(18-20-33)25-6-4-7-25/h3,5,8-12,21,25H,4,6-7,13-20,22H2,1-2H3
InChIKeyCSSBSFBDTKSYMJ-UHFFFAOYSA-N
XLogP3.24
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 57443041
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-pyrimidin-5-ylphenyl)piperazin-1-yl]ethanone
CID 57443163
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-(methyliminomethyl)phenyl]piperazin-1-yl]ethanone
CID 143404331
2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442446
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone
CID 148987737
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-phenylphenyl)prop-2-en-1-one
CID 68776266
3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide
CID 57443118
1-(4-cyclobutylpiperazin-1-yl)-2-(6-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420859
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone (CID 58826279) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone is CN(C)c1cccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cc2)c1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is CSSBSFBDTKSYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O/c1-29(2)27-8-3-5-24(21-27)23-9-11-26(12-10-23)31-15-13-30(14-16-31)22-28(34)33-19-17-32(18-20-33)25-6-4-7-25/h3,5,8-12,21,25H,4,6-7,13-20,22H2,1-2H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 461.65 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58826279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).