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

C24H37N5O — CID 50771431

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC1CCN(c2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)CC1
InChIInChI=1S/C24H37N5O/c1-19-10-15-28(16-11-19)22-7-8-23(27-26-22)29-17-12-21(13-18-29)24(30)25-14-9-20-5-3-2-4-6-20/h5,7-8,19,21H,2-4,6,9-18H2,1H3,(H,25,30)
InChIKeyYAKOQYONWXCERB-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.94
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 50771431) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID50771431
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC1CCN(c2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)CC1
InChIInChI=1S/C24H37N5O/c1-19-10-15-28(16-11-19)22-7-8-23(27-26-22)29-17-12-21(13-18-29)24(30)25-14-9-20-5-3-2-4-6-20/h5,7-8,19,21H,2-4,6,9-18H2,1H3,(H,25,30)
InChIKeyYAKOQYONWXCERB-UHFFFAOYSA-N
XLogP3.94
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691216
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025322
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146208
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 50783301
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519676
1-(2-amino-2-oxoethyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 16909150
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 75414050
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055908
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4047398
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 50771431) is N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is CC1CCN(c2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is YAKOQYONWXCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c1-19-10-15-28(16-11-19)22-7-8-23(27-26-22)29-17-12-21(13-18-29)24(30)25-14-9-20-5-3-2-4-6-20/h5,7-8,19,21H,2-4,6,9-18H2,1H3,(H,25,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50771431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).