(4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

C14H15Cl2N3O — CID 11066922

IUPAC(4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C14H15Cl2N3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-11(17-12)3-2-10(15)13(9)16/h2-3,8,17H,4-7H2,1H3
InChIKeyXHDYYUNTHULNFJ-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.86
Rot. Bonds1

About (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

(4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 11066922) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID11066922
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name(4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C14H15Cl2N3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-11(17-12)3-2-10(15)13(9)16/h2-3,8,17H,4-7H2,1H3
InChIKeyXHDYYUNTHULNFJ-UHFFFAOYSA-N
XLogP2.86
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,5-dichloro-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 (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 11066922) is (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1.
What is the InChIKey of (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XHDYYUNTHULNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-11(17-12)3-2-10(15)13(9)16/h2-3,8,17H,4-7H2,1H3.
What are the key properties of (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 312.20 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 11066922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).