(6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

C14H16BrN3O — CID 10860228

IUPAC(6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C14H16BrN3O/c1-17-4-6-18(7-5-17)14(19)13-8-10-2-3-11(15)9-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
InChIKeyYLJOIPRHXDRNJT-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.32
Rot. Bonds1

About (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

(6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 10860228) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID10860228
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name(6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C14H16BrN3O/c1-17-4-6-18(7-5-17)14(19)13-8-10-2-3-11(15)9-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
InChIKeyYLJOIPRHXDRNJT-UHFFFAOYSA-N
XLogP2.32
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6-bromo-1H-indol-2-yl)-(4-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 (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 10860228) is (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1.
What is the InChIKey of (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YLJOIPRHXDRNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-17-4-6-18(7-5-17)14(19)13-8-10-2-3-11(15)9-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 322.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10860228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).