ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate

C15H20BrN3O3 — CID 4521870

IUPACethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O3/c1-2-22-14(20)11-18-7-9-19(10-8-18)15(21)17-13-6-4-3-5-12(13)16/h3-6H,2,7-11H2,1H3,(H,17,21)
InChIKeyWCSJIBXMUODDKJ-UHFFFAOYSA-N
MW370.25 g/mol
LogP2.16
Rot. Bonds4

About ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate

ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate (PubChem CID 4521870) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate
PubChem CID4521870
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Nameethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O3/c1-2-22-14(20)11-18-7-9-19(10-8-18)15(21)17-13-6-4-3-5-12(13)16/h3-6H,2,7-11H2,1H3,(H,17,21)
InChIKeyWCSJIBXMUODDKJ-UHFFFAOYSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate (CID 4521870) is ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate?
The InChIKey is WCSJIBXMUODDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-2-22-14(20)11-18-7-9-19(10-8-18)15(21)17-13-6-4-3-5-12(13)16/h3-6H,2,7-11H2,1H3,(H,17,21).
What are the key properties of ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate?
ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate has a molecular weight of 370.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-bromophenyl)carbamoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 4521870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).