3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide

C26H41N5O2 — CID 57443118

IUPAC3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)CNC(=O)c1cccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1
InChIInChI=1S/C26H41N5O2/c1-26(2,3)20-27-25(33)21-6-4-9-23(18-21)30-12-10-28(11-13-30)19-24(32)31-16-14-29(15-17-31)22-7-5-8-22/h4,6,9,18,22H,5,7-8,10-17,19-20H2,1-3H3,(H,27,33)
InChIKeyCPZKQOLRIXNBRU-UHFFFAOYSA-N
MW455.65 g/mol
LogP2.28
Rot. Bonds6

About 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide

3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide (PubChem CID 57443118) has the molecular formula C26H41N5O2 and a molecular weight of 455.65 g/mol. Its IUPAC name is 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide
PubChem CID57443118
Molecular FormulaC26H41N5O2
Molecular Weight455.65 g/mol
Exact Mass455.33
IUPAC Name3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)CNC(=O)c1cccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1
InChIInChI=1S/C26H41N5O2/c1-26(2,3)20-27-25(33)21-6-4-9-23(18-21)30-12-10-28(11-13-30)19-24(32)31-16-14-29(15-17-31)22-7-5-8-22/h4,6,9,18,22H,5,7-8,10-17,19-20H2,1-3H3,(H,27,33)
InChIKeyCPZKQOLRIXNBRU-UHFFFAOYSA-N
XLogP2.28
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.65
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442446
3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 143404244
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
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone
CID 58826279
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)benzoyl]piperazin-1-yl]ethanone
CID 57442744
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone
CID 148987737
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-pyrimidin-5-ylphenyl)piperazin-1-yl]ethanone
CID 57443163

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide?
The IUPAC name of 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide (CID 57443118) is 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide?
The canonical SMILES for 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide is CC(C)(C)CNC(=O)c1cccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1.
What is the InChIKey of 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide?
The InChIKey is CPZKQOLRIXNBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O2/c1-26(2,3)20-27-25(33)21-6-4-9-23(18-21)30-12-10-28(11-13-30)19-24(32)31-16-14-29(15-17-31)22-7-5-8-22/h4,6,9,18,22H,5,7-8,10-17,19-20H2,1-3H3,(H,27,33).
What are the key properties of 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide?
3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide has a molecular weight of 455.65 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 57443118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).