2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone

C16H28N2O2 — CID 95773256

IUPAC2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone
SMILESCOC[C@H](C)N1CCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-14(13-20-2)17-8-10-18(11-9-17)16(19)12-15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3/t14-/m0/s1
InChIKeyHXHSPISJGGTZSM-AWEZNQCLSA-N
MW280.41 g/mol
LogP2.06
Rot. Bonds5

About 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone (PubChem CID 95773256) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone
PubChem CID95773256
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone
SMILESCOC[C@H](C)N1CCN(C(=O)CC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-14(13-20-2)17-8-10-18(11-9-17)16(19)12-15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3/t14-/m0/s1
InChIKeyHXHSPISJGGTZSM-AWEZNQCLSA-N
XLogP2.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.06
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 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone (CID 95773256) is 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone is COC[C@H](C)N1CCN(C(=O)CC2=CCCCC2)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone?
The InChIKey is HXHSPISJGGTZSM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-14(13-20-2)17-8-10-18(11-9-17)16(19)12-15-6-4-3-5-7-15/h6,14H,3-5,7-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone has a molecular weight of 280.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95773256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).