N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide

C23H28BrN3O3 — CID 60502169

IUPACN-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NC(C)c3ccc(Br)cc3)CC2)ccc1C
InChIInChI=1S/C23H28BrN3O3/c1-16-4-5-19(14-21(16)30-3)23(29)27-12-10-26(11-13-27)15-22(28)25-17(2)18-6-8-20(24)9-7-18/h4-9,14,17H,10-13,15H2,1-3H3,(H,25,28)
InChIKeyOQQUKMZBOAPNDK-UHFFFAOYSA-N
MW474.40 g/mol
LogP3.40
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 60502169) has the molecular formula C23H28BrN3O3 and a molecular weight of 474.40 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID60502169
Molecular FormulaC23H28BrN3O3
Molecular Weight474.40 g/mol
Exact Mass473.13
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NC(C)c3ccc(Br)cc3)CC2)ccc1C
InChIInChI=1S/C23H28BrN3O3/c1-16-4-5-19(14-21(16)30-3)23(29)27-12-10-26(11-13-27)15-22(28)25-17(2)18-6-8-20(24)9-7-18/h4-9,14,17H,10-13,15H2,1-3H3,(H,25,28)
InChIKeyOQQUKMZBOAPNDK-UHFFFAOYSA-N
XLogP3.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]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-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 43055545
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
N-butyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 18163310
N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
ethyl 4-[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932049
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78900057
N-propan-2-yl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18156802
1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119736818
(2S)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 124686905

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide (CID 60502169) is N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is COc1cc(C(=O)N2CCN(CC(=O)NC(C)c3ccc(Br)cc3)CC2)ccc1C.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is OQQUKMZBOAPNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O3/c1-16-4-5-19(14-21(16)30-3)23(29)27-12-10-26(11-13-27)15-22(28)25-17(2)18-6-8-20(24)9-7-18/h4-9,14,17H,10-13,15H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 474.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60502169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).