1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone

C11H18N2O — CID 130663738

IUPAC1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone
SMILESNC1CCN(C(=O)C=C2CCC2)CC1
InChIInChI=1S/C11H18N2O/c12-10-4-6-13(7-5-10)11(14)8-9-2-1-3-9/h8,10H,1-7,12H2
InChIKeyAJANUZUFPHXDNY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.05
Rot. Bonds1

About 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone

1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone (PubChem CID 130663738) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone
PubChem CID130663738
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone
SMILESNC1CCN(C(=O)C=C2CCC2)CC1
InChIInChI=1S/C11H18N2O/c12-10-4-6-13(7-5-10)11(14)8-9-2-1-3-9/h8,10H,1-7,12H2
InChIKeyAJANUZUFPHXDNY-UHFFFAOYSA-N
XLogP1.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-aminopiperidin-1-yl)-4-pyrrolidin-1-ylbut-2-en-1-one
CID 70888666
(4-aminopiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 131224010
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351
3-[4-(2-cyclopentylideneacetyl)piperazin-1-yl]-3-oxopropanenitrile
CID 108921786
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
4-aminopiperidine-1-carbonyl iodide
CID 89243614
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
(E)-1-(4-aminopiperidin-1-yl)-3-naphthalen-1-ylprop-2-en-1-one
CID 92921074
(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128989167
(E)-1-(4-aminopiperidin-1-yl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 92926170
(4aS,7Z,8aS)-7-(2-oxo-2-pyrrolidin-1-ylethylidene)-2,3,4,4a,5,6,8,8a-octahydronaphthalen-1-one
CID 53257429

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone (CID 130663738) is 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone is NC1CCN(C(=O)C=C2CCC2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone?
The InChIKey is AJANUZUFPHXDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-10-4-6-13(7-5-10)11(14)8-9-2-1-3-9/h8,10H,1-7,12H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone?
1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone has a molecular weight of 194.28 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-cyclobutylideneethanone is sourced from PubChem (CID 130663738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).