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

C22H33N5O2 — CID 50771801

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C22H33N5O2/c28-22(23-11-8-18-4-2-1-3-5-18)19-9-12-26(13-10-19)20-6-7-21(25-24-20)27-14-16-29-17-15-27/h4,6-7,19H,1-3,5,8-17H2,(H,23,28)
InChIKeyPDRVFBBXTSRIGC-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-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771801) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771801
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-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C22H33N5O2/c28-22(23-11-8-18-4-2-1-3-5-18)19-9-12-26(13-10-19)20-6-7-21(25-24-20)27-14-16-29-17-15-27/h4,6-7,19H,1-3,5,8-17H2,(H,23,28)
InChIKeyPDRVFBBXTSRIGC-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

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
N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20865083
Azepan-1-yl-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 46297875
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 46297902
N-{3-[cyclohexyl(methyl)amino]propyl}-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771154
N-[3-(3-Methylpiperidino)propyl]-1-(6-piperidino-3-pyridazinyl)-4-piperidinecarboxamide
CID 50771825
N~4~-{3-[Cyclohexyl(methyl)amino]propyl}-1-(6-morpholino-3-pyridazinyl)-4-piperidinecarboxamide
CID 50771884
1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 50771951
N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785618
N-(3-methylbutyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 50785835
N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[6-(piperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53026720

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771801) is N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is PDRVFBBXTSRIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-22(23-11-8-18-4-2-1-3-5-18)19-9-12-26(13-10-19)20-6-7-21(25-24-20)27-14-16-29-17-15-27/h4,6-7,19H,1-3,5,8-17H2,(H,23,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-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-4-carboxamide is sourced from PubChem (CID 50771801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).