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

C22H33N5O2 — CID 50785618

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(c2ccc(N3CCOCC3)nn2)C1
InChIInChI=1S/C22H33N5O2/c28-22(23-11-10-18-5-2-1-3-6-18)19-7-4-12-27(17-19)21-9-8-20(24-25-21)26-13-15-29-16-14-26/h5,8-9,19H,1-4,6-7,10-17H2,(H,23,28)
InChIKeyYLCVMGNHBZQRDA-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.54
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 50785618) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID50785618
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(c2ccc(N3CCOCC3)nn2)C1
InChIInChI=1S/C22H33N5O2/c28-22(23-11-10-18-5-2-1-3-6-18)19-7-4-12-27(17-19)21-9-8-20(24-25-21)26-13-15-29-16-14-26/h5,8-9,19H,1-4,6-7,10-17H2,(H,23,28)
InChIKeyYLCVMGNHBZQRDA-UHFFFAOYSA-N
XLogP2.54
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.54
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-(morpholin-4-YL)pyridazin-3-YL]piperidine-3-carboxamide
CID 50785597
N-[3-(N-methylanilino)propyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785876
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
N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771801
N~4~-{3-[Cyclohexyl(methyl)amino]propyl}-1-(6-morpholino-3-pyridazinyl)-4-piperidinecarboxamide
CID 50771884
N-butyl-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 50785655
N-(4-methylbenzyl)-1-(6-morpholino-3-pyridazinyl)-3-piperidinecarboxamide
CID 50785732
N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785835
N-[(3-Methylphenyl)methyl]-1-[6-(morpholin-4-YL)pyridazin-3-YL]piperidine-3-carboxamide
CID 50785853
N-{[4-(Dimethylamino)phenyl]methyl}-1-[6-(morpholin-4-YL)pyridazin-3-YL]piperidine-3-carboxamide
CID 50785875

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 50785618) is N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(c2ccc(N3CCOCC3)nn2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is YLCVMGNHBZQRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-22(23-11-10-18-5-2-1-3-6-18)19-7-4-12-27(17-19)21-9-8-20(24-25-21)26-13-15-29-16-14-26/h5,8-9,19H,1-4,6-7,10-17H2,(H,23,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.54, 6 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-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50785618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).