(E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide

C11H20N2O2 — CID 170331875

IUPAC(E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCC(C)(O)CC1
InChIInChI=1S/C11H20N2O2/c1-11(15)5-8-13(9-6-11)7-3-4-10(14)12-2/h3-4,15H,5-9H2,1-2H3,(H,12,14)/b4-3+
InChIKeyLRXNVRUYVLFUIH-ONEGZZNKSA-N
MW212.29 g/mol
LogP0.14
Rot. Bonds3

About (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide

(E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide (PubChem CID 170331875) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide
PubChem CID170331875
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCC(C)(O)CC1
InChIInChI=1S/C11H20N2O2/c1-11(15)5-8-13(9-6-11)7-3-4-10(14)12-2/h3-4,15H,5-9H2,1-2H3,(H,12,14)/b4-3+
InChIKeyLRXNVRUYVLFUIH-ONEGZZNKSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.14
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

4-(4,4-dihydroxypiperidin-1-yl)but-2-enoic acid
CID 57011311
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 80703621
(E)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
CID 145196932
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 81097234
4-[4-(chloromethyl)-4-(hydroxymethyl)piperidin-1-yl]but-2-enoic acid
CID 141258594
N-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]acetamide
CID 58837148
(E)-N-butan-2-yl-4-(3,3-difluoropyrrolidin-1-yl)but-2-enamide;molecular hydrogen
CID 162375538
N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
CID 123993232
N,N'-dimethylbut-2-enediamide
CID 54344026
methyl 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbut-2-enoate
CID 103728883
ethyl (E)-4-(4,4-diethylpiperidin-1-yl)but-2-enoate
CID 80549192
(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
CID 177013069

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide (CID 170331875) is (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide is CNC(=O)/C=C/CN1CCC(C)(O)CC1.
What is the InChIKey of (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide?
The InChIKey is LRXNVRUYVLFUIH-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(15)5-8-13(9-6-11)7-3-4-10(14)12-2/h3-4,15H,5-9H2,1-2H3,(H,12,14)/b4-3+.
What are the key properties of (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide?
(E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbut-2-enamide is sourced from PubChem (CID 170331875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).