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

C17H28N2O2 — CID 121016919

IUPACcyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)C3CC=CCC3)CC2)C1
InChIInChI=1S/C17H28N2O2/c1-21-16-9-12-19(13-16)15-7-10-18(11-8-15)17(20)14-5-3-2-4-6-14/h2-3,14-16H,4-13H2,1H3
InChIKeyNHEJBWZHPMPDKV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.05
Rot. Bonds3

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

cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone (PubChem CID 121016919) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
PubChem CID121016919
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Namecyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)C3CC=CCC3)CC2)C1
InChIInChI=1S/C17H28N2O2/c1-21-16-9-12-19(13-16)15-7-10-18(11-8-15)17(20)14-5-3-2-4-6-14/h2-3,14-16H,4-13H2,1H3
InChIKeyNHEJBWZHPMPDKV-UHFFFAOYSA-N
XLogP2.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl(cyclohex-3-en-1-yl)methanone
CID 122160458
tert-butyl (4aR,7aS)-4-(cyclohex-3-ene-1-carbonyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxylate
CID 126819146
1'-(Cyclohex-3-ene-1-carbonyl)-4-methoxy-1,4'-bipiperidine
CID 90616341
2-Cyclopent-2-en-1-yl-1-[2-(morpholin-4-ylmethyl)morpholin-4-yl]ethanone
CID 132467766
Cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 12760864
[6-(Morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 19133519
N-[(4S)-4-methoxypyrrolidin-3-yl]cyclohex-3-ene-1-carboxamide
CID 43594059
2-[1-(2,6-Dimethylmorpholin-4-yl)-4-methyl-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 45740884
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 47016971
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanone
CID 52217314
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 52217316
2-Cyclopent-2-en-1-yl-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 53516292

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone (CID 121016919) is cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone is COC1CCN(C2CCN(C(=O)C3CC=CCC3)CC2)C1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is NHEJBWZHPMPDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-21-16-9-12-19(13-16)15-7-10-18(11-8-15)17(20)14-5-3-2-4-6-14/h2-3,14-16H,4-13H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 292.42 g/mol, XLogP of 2.05, 3 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-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121016919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).