(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

C14H18Br2N2O — CID 113345359

IUPAC(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Br)cc2Br)CC1C
InChIInChI=1S/C14H18Br2N2O/c1-3-17-6-7-18(9-10(17)2)14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyMNWWYHHHSTYCFC-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.38
Rot. Bonds2

About (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (PubChem CID 113345359) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
PubChem CID113345359
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Br)cc2Br)CC1C
InChIInChI=1S/C14H18Br2N2O/c1-3-17-6-7-18(9-10(17)2)14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyMNWWYHHHSTYCFC-UHFFFAOYSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone 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 (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone (CID 113345359) is (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(Br)cc2Br)CC1C.
What is the InChIKey of (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
The InChIKey is MNWWYHHHSTYCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-3-17-6-7-18(9-10(17)2)14(19)12-5-4-11(15)8-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone?
(2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone has a molecular weight of 390.12 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 113345359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).