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

C25H32N4O — CID 51691216

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)cc1
InChIInChI=1S/C25H32N4O/c1-19-7-9-21(10-8-19)23-11-12-24(28-27-23)29-17-14-22(15-18-29)25(30)26-16-13-20-5-3-2-4-6-20/h5,7-12,22H,2-4,6,13-18H2,1H3,(H,26,30)
InChIKeyRPVXJJPARPOTBQ-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.68
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 51691216) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID51691216
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)cc1
InChIInChI=1S/C25H32N4O/c1-19-7-9-21(10-8-19)23-11-12-24(28-27-23)29-17-14-22(15-18-29)25(30)26-16-13-20-5-3-2-4-6-20/h5,7-12,22H,2-4,6,13-18H2,1H3,(H,26,30)
InChIKeyRPVXJJPARPOTBQ-UHFFFAOYSA-N
XLogP4.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 50771431
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025322
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
(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]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519676
N-[2-(cyclohexen-1-yl)ethyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378454
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375075
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003181
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 75414050
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135844
1-(2-amino-2-oxoethyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 16909150

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 51691216) is N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1ccc(-c2ccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)nn2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is RPVXJJPARPOTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-19-7-9-21(10-8-19)23-11-12-24(28-27-23)29-17-14-22(15-18-29)25(30)26-16-13-20-5-3-2-4-6-20/h5,7-12,22H,2-4,6,13-18H2,1H3,(H,26,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 51691216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).