cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone

C18H24N4O — CID 122281316

IUPACcyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C18H24N4O/c23-18(14-5-2-1-3-6-14)22-11-9-21(10-12-22)17-13-15-7-4-8-16(15)19-20-17/h1-2,13-14H,3-12H2
InChIKeyQVCVJZBKKIVEIB-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.97
Rot. Bonds2

About cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone

cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122281316) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122281316
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Namecyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C18H24N4O/c23-18(14-5-2-1-3-6-14)22-11-9-21(10-12-22)17-13-15-7-4-8-16(15)19-20-17/h1-2,13-14H,3-12H2
InChIKeyQVCVJZBKKIVEIB-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 121023221
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
cyclohex-3-en-1-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719895
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122281359
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 122281083
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122281108
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 122281267
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
(2,5-dichlorophenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281052
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 122281033
2-(4-chlorophenyl)-1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122281075
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122281024

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone (CID 122281316) is cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone is O=C(C1CC=CCC1)N1CCN(c2cc3c(nn2)CCC3)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is QVCVJZBKKIVEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(14-5-2-1-3-6-14)22-11-9-21(10-12-22)17-13-15-7-4-8-16(15)19-20-17/h1-2,13-14H,3-12H2.
What are the key properties of cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 312.42 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122281316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).