1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone

C13H24N2O — CID 782181

IUPAC1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone
SMILESC=C(C)CN(CC)C1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O/c1-5-14(10-11(2)3)13-6-8-15(9-7-13)12(4)16/h13H,2,5-10H2,1,3-4H3
InChIKeyVXAIIDXEZOCZHU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.90
Rot. Bonds4

About 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone

1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone (PubChem CID 782181) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone
PubChem CID782181
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone
SMILESC=C(C)CN(CC)C1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O/c1-5-14(10-11(2)3)13-6-8-15(9-7-13)12(4)16/h13H,2,5-10H2,1,3-4H3
InChIKeyVXAIIDXEZOCZHU-UHFFFAOYSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-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

1-[4-(Dimethylamino)piperidin-1-yl]prop-2-en-1-one
CID 43616749
1-(4-(Dimethylamino)piperidin-1-yl)ethanone
CID 20754711
1-[4-(Diethylamino)piperidin-1-yl]ethanone
CID 61243591
1-[4-(Dibutylamino)piperidin-1-yl]ethanone
CID 101156258
N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 18337151
1-[4-[Tert-butyl(methyl)amino]piperidin-1-yl]ethanone
CID 21061549
N-(1-ethylpiperidin-4-yl)-N-methylacetamide
CID 21338842
1-acetyl-N-methyl-N-propyl-4-piperidinamine
CID 39791280
N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 43616250
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
1-[4-[Methyl(propan-2-yl)amino]piperidin-1-yl]ethanone
CID 57677516
N-methyl-N-(1-propylpiperidin-4-yl)acetamide
CID 58158797

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone (CID 782181) is 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone is C=C(C)CN(CC)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone?
The InChIKey is VXAIIDXEZOCZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-14(10-11(2)3)13-6-8-15(9-7-13)12(4)16/h13H,2,5-10H2,1,3-4H3.
What are the key properties of 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone?
1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(2-methylprop-2-enyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 782181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).