2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone

C16H28N2O — CID 54815369

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CNCCC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O/c1-14-8-11-18(12-9-14)16(19)13-17-10-7-15-5-3-2-4-6-15/h5,14,17H,2-4,6-13H2,1H3
InChIKeyLDZCVFSOXSBIJD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone

2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 54815369) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID54815369
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CNCCC2=CCCCC2)CC1
InChIInChI=1S/C16H28N2O/c1-14-8-11-18(12-9-14)16(19)13-17-10-7-15-5-3-2-4-6-15/h5,14,17H,2-4,6-13H2,1H3
InChIKeyLDZCVFSOXSBIJD-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108993857
3-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109014873
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146208
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044848
4-[3-[2-(cyclohexen-1-yl)ethylamino]propanoyl]piperazine-1-carbaldehyde
CID 109014811
2-[2-(cyclopenten-1-yl)ethylamino]-N-methylacetamide
CID 106173871
3-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109014810
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 75414050
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4047398
2-[2-(cyclohexen-1-yl)ethylamino]-1-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanone
CID 3226660
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone (CID 54815369) is 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CNCCC2=CCCCC2)CC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is LDZCVFSOXSBIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14-8-11-18(12-9-14)16(19)13-17-10-7-15-5-3-2-4-6-15/h5,14,17H,2-4,6-13H2,1H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 264.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 54815369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).