N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

C24H38N6O — CID 46297902

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCN1CCN(c2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)CC1
InChIInChI=1S/C24H38N6O/c1-2-28-16-18-30(19-17-28)23-9-8-22(26-27-23)29-14-11-21(12-15-29)24(31)25-13-10-20-6-4-3-5-7-20/h6,8-9,21H,2-5,7,10-19H2,1H3,(H,25,31)
InChIKeyDSGSVJROYJXGRX-UHFFFAOYSA-N
MW426.61 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 46297902) has the molecular formula C24H38N6O and a molecular weight of 426.61 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID46297902
Molecular FormulaC24H38N6O
Molecular Weight426.61 g/mol
Exact Mass426.31
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCN1CCN(c2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)CC1
InChIInChI=1S/C24H38N6O/c1-2-28-16-18-30(19-17-28)23-9-8-22(26-27-23)29-14-11-21(12-15-29)24(31)25-13-10-20-6-4-3-5-7-20/h6,8-9,21H,2-5,7,10-19H2,1H3,(H,25,31)
InChIKeyDSGSVJROYJXGRX-UHFFFAOYSA-N
XLogP2.84
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 16188092
N-[(4-fluorophenyl)methyl]-1-[6-(piperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 50771874
N-{3-[methyl(phenyl)amino]propyl}-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771294
1-{4-[6-(Benzylamino)pyridazin-3-yl]piperazin-1-yl}-2-propylpentan-1-one
CID 7292298
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
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-Methylphenyl)methyl]-1-[6-(piperidin-1-YL)pyridazin-3-YL]piperidine-4-carboxamide
CID 50771351
N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771801
N-[(3-Methylphenyl)methyl]-1-[6-(piperidin-1-YL)pyridazin-3-YL]piperidine-4-carboxamide
CID 50771805
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771807

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 46297902) is N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is CCN1CCN(c2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is DSGSVJROYJXGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O/c1-2-28-16-18-30(19-17-28)23-9-8-22(26-27-23)29-14-11-21(12-15-29)24(31)25-13-10-20-6-4-3-5-7-20/h6,8-9,21H,2-5,7,10-19H2,1H3,(H,25,31).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 426.61 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46297902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).