N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide

C23H29N3O2 — CID 113078219

IUPACN-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-17(27)24-20-6-5-7-21(16-20)25-12-14-26(15-13-25)22(28)18-8-10-19(11-9-18)23(2,3)4/h5-11,16H,12-15H2,1-4H3,(H,24,27)
InChIKeyAQSHTCMYFQUUAN-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.90
Rot. Bonds3

About N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide

N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 113078219) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID113078219
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-17(27)24-20-6-5-7-21(16-20)25-12-14-26(15-13-25)22(28)18-8-10-19(11-9-18)23(2,3)4/h5-11,16H,12-15H2,1-4H3,(H,24,27)
InChIKeyAQSHTCMYFQUUAN-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide 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

N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078217
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(3,4-dimethylphenyl)urea
CID 1056874
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 174684643
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide (CID 113078219) is N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is AQSHTCMYFQUUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(27)24-20-6-5-7-21(16-20)25-12-14-26(15-13-25)22(28)18-8-10-19(11-9-18)23(2,3)4/h5-11,16H,12-15H2,1-4H3,(H,24,27).
What are the key properties of N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide?
N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 113078219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).