4-(2-methylpiperidin-1-yl)but-2-enamide

C10H18N2O — CID 141030291

IUPAC4-(2-methylpiperidin-1-yl)but-2-enamide
SMILESCC1CCCCN1CC=CC(N)=O
InChIInChI=1S/C10H18N2O/c1-9-5-2-3-7-12(9)8-4-6-10(11)13/h4,6,9H,2-3,5,7-8H2,1H3,(H2,11,13)
InChIKeyUPDXMURZVIMKNF-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.90
Rot. Bonds3

About 4-(2-methylpiperidin-1-yl)but-2-enamide

4-(2-methylpiperidin-1-yl)but-2-enamide (PubChem CID 141030291) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)but-2-enamide
PubChem CID141030291
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-(2-methylpiperidin-1-yl)but-2-enamide
SMILESCC1CCCCN1CC=CC(N)=O
InChIInChI=1S/C10H18N2O/c1-9-5-2-3-7-12(9)8-4-6-10(11)13/h4,6,9H,2-3,5,7-8H2,1H3,(H2,11,13)
InChIKeyUPDXMURZVIMKNF-UHFFFAOYSA-N
XLogP0.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.90
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

(2S)-1-(4-amino-4-oxobut-2-enyl)pyrrolidine-2-carboxylic acid
CID 69407633
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
(2S)-1-hept-2-enyl-2-methylpiperidine
CID 70017169
2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 167235673
(2-methylpiperidin-1-yl)methanol
CID 67262865
4-(4-fluoropiperidin-1-yl)but-2-enamide
CID 175740699
(E)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)but-2-enoic acid
CID 79930721
3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
(2S)-2-methyl-1-prop-2-enylpyrrolidine
CID 124507016
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
2-methyl-1-(methylsulfanylmethyl)piperidine
CID 167191719
(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid
CID 98191086

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)but-2-enamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)but-2-enamide (CID 141030291) is 4-(2-methylpiperidin-1-yl)but-2-enamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)but-2-enamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)but-2-enamide is CC1CCCCN1CC=CC(N)=O.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)but-2-enamide?
The InChIKey is UPDXMURZVIMKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9-5-2-3-7-12(9)8-4-6-10(11)13/h4,6,9H,2-3,5,7-8H2,1H3,(H2,11,13).
What are the key properties of 4-(2-methylpiperidin-1-yl)but-2-enamide?
4-(2-methylpiperidin-1-yl)but-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 141030291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).