cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone

C19H26N4O2 — CID 86267042

IUPACcyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cnn2c1CCCC2)N1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C19H26N4O2/c24-18(15-6-2-1-3-7-15)21-10-12-22(13-11-21)19(25)16-14-20-23-9-5-4-8-17(16)23/h1-2,14-15H,3-13H2
InChIKeyCGJNARVAZINNLS-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.86
Rot. Bonds2

About cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone

cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 86267042) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID86267042
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Namecyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cnn2c1CCCC2)N1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C19H26N4O2/c24-18(15-6-2-1-3-7-15)21-10-12-22(13-11-21)19(25)16-14-20-23-9-5-4-8-17(16)23/h1-2,14-15H,3-13H2
InChIKeyCGJNARVAZINNLS-UHFFFAOYSA-N
XLogP1.86
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone (CID 86267042) is cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone is O=C(c1cnn2c1CCCC2)N1CCN(C(=O)C2CC=CCC2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is CGJNARVAZINNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(15-6-2-1-3-7-15)21-10-12-22(13-11-21)19(25)16-14-20-23-9-5-4-8-17(16)23/h1-2,14-15H,3-13H2.
What are the key properties of cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 1.86, 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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86267042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).