4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide

C15H20BrN3O2 — CID 115769535

IUPAC4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C15H20BrN3O2/c1-3-17-15(21)19-8-6-18(7-9-19)14(20)12-4-5-13(16)11(2)10-12/h4-5,10H,3,6-9H2,1-2H3,(H,17,21)
InChIKeyOTSIJUKHCPESLV-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.24
Rot. Bonds2

About 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide

4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 115769535) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide
PubChem CID115769535
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccc(Br)c(C)c2)CC1
InChIInChI=1S/C15H20BrN3O2/c1-3-17-15(21)19-8-6-18(7-9-19)14(20)12-4-5-13(16)11(2)10-12/h4-5,10H,3,6-9H2,1-2H3,(H,17,21)
InChIKeyOTSIJUKHCPESLV-UHFFFAOYSA-N
XLogP2.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide 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

aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide
CID 60698551
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
4-(3-chloro-4-iodobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103734756
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 115770342
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
N-(4-bromo-3-methylphenyl)-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112824486
(4-bromo-3-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 112705709

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide (CID 115769535) is 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2ccc(Br)c(C)c2)CC1.
What is the InChIKey of 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is OTSIJUKHCPESLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-3-17-15(21)19-8-6-18(7-9-19)14(20)12-4-5-13(16)11(2)10-12/h4-5,10H,3,6-9H2,1-2H3,(H,17,21).
What are the key properties of 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide?
4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylbenzoyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 115769535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).