cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

C16H23N3O — CID 119103534

IUPACcyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc(C2CCN(C(=O)C3CC=CCC3)CC2)n1
InChIInChI=1S/C16H23N3O/c1-18-10-9-15(17-18)13-7-11-19(12-8-13)16(20)14-5-3-2-4-6-14/h2-3,9-10,13-14H,4-8,11-12H2,1H3
InChIKeyPARWPWKSEPFCKV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds2

About cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 119103534) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID119103534
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Namecyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1ccc(C2CCN(C(=O)C3CC=CCC3)CC2)n1
InChIInChI=1S/C16H23N3O/c1-18-10-9-15(17-18)13-7-11-19(12-8-13)16(20)14-5-3-2-4-6-14/h2-3,9-10,13-14H,4-8,11-12H2,1H3
InChIKeyPARWPWKSEPFCKV-UHFFFAOYSA-N
XLogP2.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 119103534) is cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is Cn1ccc(C2CCN(C(=O)C3CC=CCC3)CC2)n1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is PARWPWKSEPFCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-10-9-15(17-18)13-7-11-19(12-8-13)16(20)14-5-3-2-4-6-14/h2-3,9-10,13-14H,4-8,11-12H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119103534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).