N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C24H40N6O — CID 50771825

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)C1
InChIInChI=1S/C24H40N6O/c1-20-7-5-13-28(19-20)14-6-12-25-24(31)21-10-17-30(18-11-21)23-9-8-22(26-27-23)29-15-3-2-4-16-29/h8-9,20-21H,2-7,10-19H2,1H3,(H,25,31)
InChIKeyXJETWZCVCRKICM-UHFFFAOYSA-N
MW428.63 g/mol
LogP2.92
Rot. Bonds7

About N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771825) has the molecular formula C24H40N6O and a molecular weight of 428.63 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771825
Molecular FormulaC24H40N6O
Molecular Weight428.63 g/mol
Exact Mass428.33
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)C1
InChIInChI=1S/C24H40N6O/c1-20-7-5-13-28(19-20)14-6-12-25-24(31)21-10-17-30(18-11-21)23-9-8-22(26-27-23)29-15-3-2-4-16-29/h8-9,20-21H,2-7,10-19H2,1H3,(H,25,31)
InChIKeyXJETWZCVCRKICM-UHFFFAOYSA-N
XLogP2.92
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.63
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-({[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3239594
N-(3-methoxypropyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 16188092
Cyclohexyl(4-(6-(2-methylpiperidin-1-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 18584530
N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20865083
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 46297902
Azepan-1-yl-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297903
N-{3-[cyclohexyl(methyl)amino]propyl}-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771154
N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771801
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771807
N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771821
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771872
N~4~-{3-[Cyclohexyl(methyl)amino]propyl}-1-(6-morpholino-3-pyridazinyl)-4-piperidinecarboxamide
CID 50771884

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771825) is N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is CC1CCCN(CCCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is XJETWZCVCRKICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O/c1-20-7-5-13-28(19-20)14-6-12-25-24(31)21-10-17-30(18-11-21)23-9-8-22(26-27-23)29-15-3-2-4-16-29/h8-9,20-21H,2-7,10-19H2,1H3,(H,25,31).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 428.63 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).