cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone

C19H23N5O2 — CID 90491282

IUPACcyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)C4CC=CCC4)CC3)nc2)no1
InChIInChI=1S/C19H23N5O2/c1-14-21-18(22-26-14)16-7-8-17(20-13-16)23-9-11-24(12-10-23)19(25)15-5-3-2-4-6-15/h2-3,7-8,13,15H,4-6,9-12H2,1H3
InChIKeyARKURYPWOVGJDH-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.44
Rot. Bonds3

About cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone

cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 90491282) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID90491282
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Namecyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)C4CC=CCC4)CC3)nc2)no1
InChIInChI=1S/C19H23N5O2/c1-14-21-18(22-26-14)16-7-8-17(20-13-16)23-9-11-24(12-10-23)19(25)15-5-3-2-4-6-15/h2-3,7-8,13,15H,4-6,9-12H2,1H3
InChIKeyARKURYPWOVGJDH-UHFFFAOYSA-N
XLogP2.44
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90491225
5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one
CID 71780480
1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 90491259
(2-chloro-4-fluorophenyl)-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491256
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521
cyclobutyl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491592
[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 90491240
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71780477
[1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 50806800
cyclohex-3-en-1-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719895
1-[2-[3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68690074
[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 90491474

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 90491282) is cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1nc(-c2ccc(N3CCN(C(=O)C4CC=CCC4)CC3)nc2)no1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is ARKURYPWOVGJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-21-18(22-26-14)16-7-8-17(20-13-16)23-9-11-24(12-10-23)19(25)15-5-3-2-4-6-15/h2-3,7-8,13,15H,4-6,9-12H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90491282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).