cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C16H26N2O2 — CID 51073964

IUPACcyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C16H26N2O2/c19-16(14-5-2-1-3-6-14)18-10-8-17(9-11-18)13-15-7-4-12-20-15/h1-2,14-15H,3-13H2
InChIKeyDRSUWKRUMISOCO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.67
Rot. Bonds3

About cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 51073964) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID51073964
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Namecyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C16H26N2O2/c19-16(14-5-2-1-3-6-14)18-10-8-17(9-11-18)13-15-7-4-12-20-15/h1-2,14-15H,3-13H2
InChIKeyDRSUWKRUMISOCO-UHFFFAOYSA-N
XLogP1.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.67
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

cyclopent-3-en-1-yl-[4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidin-1-yl]methanone
CID 124049117
2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl(cyclohex-3-en-1-yl)methanone
CID 122160458
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807216
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807218
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807220
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807222
2-Cyclopent-2-en-1-yl-1-[2-(morpholin-4-ylmethyl)morpholin-4-yl]ethanone
CID 132467766
1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 5122628
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
Cyclohex-3-en-1-yl-(3-ethoxypiperidin-1-yl)methanone
CID 47736162
2-Cyclopent-2-en-1-yl-1-(3-ethoxypiperidin-1-yl)ethanone
CID 47736347

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 51073964) is cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is O=C(C1CC=CCC1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is DRSUWKRUMISOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-16(14-5-2-1-3-6-14)18-10-8-17(9-11-18)13-15-7-4-12-20-15/h1-2,14-15H,3-13H2.
What are the key properties of cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 278.40 g/mol, XLogP of 1.67, 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-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51073964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).