[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone

C26H34N2O2 — CID 1241593

IUPAC[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-25(2,3)21-11-7-19(8-12-21)23(29)27-15-17-28(18-16-27)24(30)20-9-13-22(14-10-20)26(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyOKPWPOYXDATORF-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.88
Rot. Bonds2

About [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone

[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone (PubChem CID 1241593) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
PubChem CID1241593
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-25(2,3)21-11-7-19(8-12-21)23(29)27-15-17-28(18-16-27)24(30)20-9-13-22(14-10-20)26(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyOKPWPOYXDATORF-UHFFFAOYSA-N
XLogP4.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone 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-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
CID 88873532
(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 113072939
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971611
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone?
The IUPAC name of [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone (CID 1241593) is [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone.
What is the SMILES notation for [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone?
The canonical SMILES for [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone is CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone?
The InChIKey is OKPWPOYXDATORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-25(2,3)21-11-7-19(8-12-21)23(29)27-15-17-28(18-16-27)24(30)20-9-13-22(14-10-20)26(4,5)6/h7-14H,15-18H2,1-6H3.
What are the key properties of [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone?
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone has a molecular weight of 406.57 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 1241593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).