2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride

C22H35Cl2N5O3 — CID 3075247

IUPAC2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride
SMILESCc1cc2c(c(N3CCCCC3)n1)C(=O)N(CCCN1CCN(CCO)CC1)C2=O.Cl.Cl
InChIInChI=1S/C22H33N5O3.2ClH/c1-17-16-18-19(20(23-17)26-7-3-2-4-8-26)22(30)27(21(18)29)9-5-6-24-10-12-25(13-11-24)14-15-28;;/h16,28H,2-15H2,1H3;2*1H
InChIKeyFSDVLLLESGTNEU-UHFFFAOYSA-N
MW488.46 g/mol
LogP1.82
Rot. Bonds7

About 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride

2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride (PubChem CID 3075247) has the molecular formula C22H35Cl2N5O3 and a molecular weight of 488.46 g/mol. Its IUPAC name is 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride.

Molecular Properties

Compound Name2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride
PubChem CID3075247
Molecular FormulaC22H35Cl2N5O3
Molecular Weight488.46 g/mol
Exact Mass487.21
IUPAC Name2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride
SMILESCc1cc2c(c(N3CCCCC3)n1)C(=O)N(CCCN1CCN(CCO)CC1)C2=O.Cl.Cl
InChIInChI=1S/C22H33N5O3.2ClH/c1-17-16-18-19(20(23-17)26-7-3-2-4-8-26)22(30)27(21(18)29)9-5-6-24-10-12-25(13-11-24)14-15-28;;/h16,28H,2-15H2,1H3;2*1H
InChIKeyFSDVLLLESGTNEU-UHFFFAOYSA-N
XLogP1.82
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride 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-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride?
The IUPAC name of 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride (CID 3075247) is 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride.
What is the SMILES notation for 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride?
The canonical SMILES for 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride is Cc1cc2c(c(N3CCCCC3)n1)C(=O)N(CCCN1CCN(CCO)CC1)C2=O.Cl.Cl.
What is the InChIKey of 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride?
The InChIKey is FSDVLLLESGTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3.2ClH/c1-17-16-18-19(20(23-17)26-7-3-2-4-8-26)22(30)27(21(18)29)9-5-6-24-10-12-25(13-11-24)14-15-28;;/h16,28H,2-15H2,1H3;2*1H.
What are the key properties of 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride?
2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride has a molecular weight of 488.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione;dihydrochloride is sourced from PubChem (CID 3075247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).