(Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one

C9H16N2O — CID 166483302

IUPAC(Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one
SMILESCC(=O)/C=C(\N)C1CCNCC1
InChIInChI=1S/C9H16N2O/c1-7(12)6-9(10)8-2-4-11-5-3-8/h6,8,11H,2-5,10H2,1H3/b9-6-
InChIKeyIAEWKNAQWBJLHY-TWGQIWQCSA-N
MW168.24 g/mol
LogP0.42
Rot. Bonds2

About (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one

(Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one (PubChem CID 166483302) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one
PubChem CID166483302
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one
SMILESCC(=O)/C=C(\N)C1CCNCC1
InChIInChI=1S/C9H16N2O/c1-7(12)6-9(10)8-2-4-11-5-3-8/h6,8,11H,2-5,10H2,1H3/b9-6-
InChIKeyIAEWKNAQWBJLHY-TWGQIWQCSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-3-[(piperidin-4-ylmethyl)amino]cyclohex-2-en-1-one
CID 557615
2-(Acetylmethylene)tetrahydropyridine
CID 68119052
(Z)-4-(pentylamino)pent-3-en-2-one
CID 130176447
(E)-4-(2-ethylhexylamino)pent-3-en-2-one
CID 5355544
(Z)-6-methyl-4-(methylamino)hept-3-en-2-one
CID 15668773
5-Methyl-3-piperazin-1-ylcyclohex-2-en-1-one
CID 13520893
2-Propanone, 1-(2-piperidinylidene)-, (1Z)-(9CI)
CID 13612463
2-(Piperidin-4-YL)pyridin-4-OL
CID 57368509
5-(3-methylpentan-2-ylamino)-2,6-dihydro-1H-pyridin-3-one
CID 59060206
2,3,6-trimethyl-2,3-dihydro-1H-pyridin-4-one
CID 60093644
2,3,4,4a-tetrahydro-1H-quinolin-7-one
CID 69954383
4-Methyl-3-(pentylamino)cyclohexa-2,5-dien-1-one
CID 70137222

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one?
The IUPAC name of (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one (CID 166483302) is (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one?
The canonical SMILES for (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one is CC(=O)/C=C(\N)C1CCNCC1.
What is the InChIKey of (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one?
The InChIKey is IAEWKNAQWBJLHY-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(12)6-9(10)8-2-4-11-5-3-8/h6,8,11H,2-5,10H2,1H3/b9-6-.
What are the key properties of (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one?
(Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-4-piperidin-4-ylbut-3-en-2-one is sourced from PubChem (CID 166483302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).