cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C17H25N3O — CID 45243605

IUPACcyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C17H25N3O/c1-2-13-11-18-19-16(13)15-9-6-10-20(12-15)17(21)14-7-4-3-5-8-14/h3-4,11,14-15H,2,5-10,12H2,1H3,(H,18,19)
InChIKeyQNDBSHKPVMDBIA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.03
Rot. Bonds3

About cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 45243605) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID45243605
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Namecyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C17H25N3O/c1-2-13-11-18-19-16(13)15-9-6-10-20(12-15)17(21)14-7-4-3-5-8-14/h3-4,11,14-15H,2,5-10,12H2,1H3,(H,18,19)
InChIKeyQNDBSHKPVMDBIA-UHFFFAOYSA-N
XLogP3.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51104533
4-(2-amino-2-oxoethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 53510163
1-(5-{[4-(4-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]carbonyl}-6-hydroxy-2-methyl-3-pyridinyl)ethanone
CID 56738231
1-{3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl}azepan-2-one
CID 56739117
5-{[4-(4-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]carbonyl}-2-hydroxy-6-methylnicotinonitrile
CID 56757298
5-{[3-(4-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]carbonyl}-2-hydroxy-6-methylnicotinonitrile
CID 56758268
1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
CID 71894156
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920573
(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71971097
1-{2-[3-(1H-Pyrazol-3-YL)piperidin-1-YL]ethyl}pyrrolidin-2-one
CID 72153927
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
2-methyl-1-[4-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 73440518

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 45243605) is cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCc1cn[nH]c1C1CCCN(C(=O)C2CC=CCC2)C1.
What is the InChIKey of cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is QNDBSHKPVMDBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-13-11-18-19-16(13)15-9-6-10-20(12-15)17(21)14-7-4-3-5-8-14/h3-4,11,14-15H,2,5-10,12H2,1H3,(H,18,19).
What are the key properties of cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 45243605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).