(Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one

C11H20N2O — CID 82234988

IUPAC(Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCCC(N)C1
InChIInChI=1S/C11H20N2O/c1-3-5-9(2)11(14)13-7-4-6-10(12)8-13/h5,10H,3-4,6-8,12H2,1-2H3/b9-5-
InChIKeyRYWZDCMLSXYMCG-UITAMQMPSA-N
MW196.29 g/mol
LogP1.29
Rot. Bonds2

About (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one

(Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one (PubChem CID 82234988) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one
PubChem CID82234988
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCCC(N)C1
InChIInChI=1S/C11H20N2O/c1-3-5-9(2)11(14)13-7-4-6-10(12)8-13/h5,10H,3-4,6-8,12H2,1-2H3/b9-5-
InChIKeyRYWZDCMLSXYMCG-UITAMQMPSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.29
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

1-(3-amino-5-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
CID 79992618
ethyl 1-[(E)-2-methylpent-2-enoyl]piperidine-3-carboxylate
CID 43424005
1-(3-aminopiperidin-1-yl)-2-methylprop-2-en-1-one
CID 123753405
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95150282
(Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one
CID 63106217
(Z)-1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-methylpent-2-en-1-one
CID 112630556
ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
CID 75526665
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
1-(3-aminopiperidin-1-yl)-3-methylbut-2-en-1-one
CID 61295908
1-(4-acetylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 71897559
(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one
CID 95154056
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one?
The IUPAC name of (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one (CID 82234988) is (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one?
The canonical SMILES for (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one is CC/C=C(/C)C(=O)N1CCCC(N)C1.
What is the InChIKey of (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one?
The InChIKey is RYWZDCMLSXYMCG-UITAMQMPSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-9(2)11(14)13-7-4-6-10(12)8-13/h5,10H,3-4,6-8,12H2,1-2H3/b9-5-.
What are the key properties of (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one?
(Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one is sourced from PubChem (CID 82234988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).