2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone

C16H28N2O — CID 108993857

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNCCC2=CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-14-6-5-11-18(13-14)16(19)12-17-10-9-15-7-3-2-4-8-15/h7,14,17H,2-6,8-13H2,1H3
InChIKeyLSTCMSUYRZYQJK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone

2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 108993857) 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-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID108993857
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNCCC2=CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-14-6-5-11-18(13-14)16(19)12-17-10-9-15-7-3-2-4-8-15/h7,14,17H,2-6,8-13H2,1H3
InChIKeyLSTCMSUYRZYQJK-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'}

Analyze 2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109014873
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54815369
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109002692
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903400
1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005936
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
2-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methylamino]acetic acid
CID 106813470
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
4-[3-[2-(cyclohexen-1-yl)ethylamino]propanoyl]piperazine-1-carbaldehyde
CID 109014811
2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide
CID 54815769

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone (CID 108993857) is 2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CNCCC2=CCCCC2)C1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is LSTCMSUYRZYQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14-6-5-11-18(13-14)16(19)12-17-10-9-15-7-3-2-4-8-15/h7,14,17H,2-6,8-13H2,1H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-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-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 108993857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).