4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride

C28H40ClN3O2 — CID 138111121

IUPAC4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.Cl
InChIInChI=1S/C28H39N3O2.ClH/c1-27(2,3)23-11-7-21(8-12-23)25(32)29-15-16-30-17-19-31(20-18-30)26(33)22-9-13-24(14-10-22)28(4,5)6;/h7-14H,15-20H2,1-6H3,(H,29,32);1H
InChIKeyRHPSUVBWPZZVFI-UHFFFAOYSA-N
MW486.10 g/mol
LogP4.89
Rot. Bonds5

About 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride

4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride (PubChem CID 138111121) has the molecular formula C28H40ClN3O2 and a molecular weight of 486.10 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
PubChem CID138111121
Molecular FormulaC28H40ClN3O2
Molecular Weight486.10 g/mol
Exact Mass485.28
IUPAC Name4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.Cl
InChIInChI=1S/C28H39N3O2.ClH/c1-27(2,3)23-11-7-21(8-12-23)25(32)29-15-16-30-17-19-31(20-18-30)26(33)22-9-13-24(14-10-22)28(4,5)6;/h7-14H,15-20H2,1-6H3,(H,29,32);1H
InChIKeyRHPSUVBWPZZVFI-UHFFFAOYSA-N
XLogP4.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.10
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride 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

4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
CID 166208512
4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 41136027
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
CID 88873532
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 144530451
N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 2915953
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide
CID 94778291
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41135956
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride (CID 138111121) is 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride is CC(C)(C)c1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.Cl.
What is the InChIKey of 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride?
The InChIKey is RHPSUVBWPZZVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2.ClH/c1-27(2,3)23-11-7-21(8-12-23)25(32)29-15-16-30-17-19-31(20-18-30)26(33)22-9-13-24(14-10-22)28(4,5)6;/h7-14H,15-20H2,1-6H3,(H,29,32);1H.
What are the key properties of 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride?
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride has a molecular weight of 486.10 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 138111121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).