N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide

C21H27N5O2 — CID 118763987

IUPACN-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide
SMILESCC(C)c1ccc(-c2cccc(C(=O)NCCCN3CCNC(=O)C3)c2)nn1
InChIInChI=1S/C21H27N5O2/c1-15(2)18-7-8-19(25-24-18)16-5-3-6-17(13-16)21(28)23-9-4-11-26-12-10-22-20(27)14-26/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyHMOOJSNAKZHANO-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.82
Rot. Bonds7

About N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide

N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide (PubChem CID 118763987) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide
PubChem CID118763987
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide
SMILESCC(C)c1ccc(-c2cccc(C(=O)NCCCN3CCNC(=O)C3)c2)nn1
InChIInChI=1S/C21H27N5O2/c1-15(2)18-7-8-19(25-24-18)16-5-3-6-17(13-16)21(28)23-9-4-11-26-12-10-22-20(27)14-26/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyHMOOJSNAKZHANO-UHFFFAOYSA-N
XLogP1.82
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide 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 N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide (CID 118763987) is N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide is CC(C)c1ccc(-c2cccc(C(=O)NCCCN3CCNC(=O)C3)c2)nn1.
What is the InChIKey of N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide?
The InChIKey is HMOOJSNAKZHANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(2)18-7-8-19(25-24-18)16-5-3-6-17(13-16)21(28)23-9-4-11-26-12-10-22-20(27)14-26/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide?
N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxopiperazin-1-yl)propyl]-3-(6-propan-2-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 118763987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).