N-methyl-N-piperidin-1-ylbut-2-enamide

C10H18N2O — CID 91455238

IUPACN-methyl-N-piperidin-1-ylbut-2-enamide
SMILESCC=CC(=O)N(C)N1CCCCC1
InChIInChI=1S/C10H18N2O/c1-3-7-10(13)11(2)12-8-5-4-6-9-12/h3,7H,4-6,8-9H2,1-2H3
InChIKeyFULISSMXEAIKRJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.42
Rot. Bonds2

About N-methyl-N-piperidin-1-ylbut-2-enamide

N-methyl-N-piperidin-1-ylbut-2-enamide (PubChem CID 91455238) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-N-piperidin-1-ylbut-2-enamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-1-ylbut-2-enamide
PubChem CID91455238
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-methyl-N-piperidin-1-ylbut-2-enamide
SMILESCC=CC(=O)N(C)N1CCCCC1
InChIInChI=1S/C10H18N2O/c1-3-7-10(13)11(2)12-8-5-4-6-9-12/h3,7H,4-6,8-9H2,1-2H3
InChIKeyFULISSMXEAIKRJ-UHFFFAOYSA-N
XLogP1.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-1-ylbut-2-enamide?
The IUPAC name of N-methyl-N-piperidin-1-ylbut-2-enamide (CID 91455238) is N-methyl-N-piperidin-1-ylbut-2-enamide.
What is the SMILES notation for N-methyl-N-piperidin-1-ylbut-2-enamide?
The canonical SMILES for N-methyl-N-piperidin-1-ylbut-2-enamide is CC=CC(=O)N(C)N1CCCCC1.
What is the InChIKey of N-methyl-N-piperidin-1-ylbut-2-enamide?
The InChIKey is FULISSMXEAIKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-7-10(13)11(2)12-8-5-4-6-9-12/h3,7H,4-6,8-9H2,1-2H3.
What are the key properties of N-methyl-N-piperidin-1-ylbut-2-enamide?
N-methyl-N-piperidin-1-ylbut-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-1-ylbut-2-enamide is sourced from PubChem (CID 91455238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).