N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide

C11H20N2O — CID 79720456

IUPACN-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
SMILESCC=CC(=O)N(C)CC1CCNCC1
InChIInChI=1S/C11H20N2O/c1-3-4-11(14)13(2)9-10-5-7-12-8-6-10/h3-4,10,12H,5-9H2,1-2H3
InChIKeyVEMAOUJBPTUIAW-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.02
Rot. Bonds3

About N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide

N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide (PubChem CID 79720456) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
PubChem CID79720456
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
SMILESCC=CC(=O)N(C)CC1CCNCC1
InChIInChI=1S/C11H20N2O/c1-3-4-11(14)13(2)9-10-5-7-12-8-6-10/h3-4,10,12H,5-9H2,1-2H3
InChIKeyVEMAOUJBPTUIAW-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.02
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

N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
2,2-difluoro-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 103514236
2,2-dicyclopropyl-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 112745071
N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide
CID 112729409
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-4-ylmethyl)urea
CID 79716976
(E)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)but-2-enamide
CID 61017890
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278
N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide
CID 81098696
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
CID 79714454
4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79700426
N,2,4,5-tetramethyl-N-(piperidin-4-ylmethyl)oxolane-3-carboxamide
CID 79720744
N-(cyclobutylmethyl)-N-methyl-2-oxoacetamide
CID 115166483

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide (CID 79720456) is N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide is CC=CC(=O)N(C)CC1CCNCC1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide?
The InChIKey is VEMAOUJBPTUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-11(14)13(2)9-10-5-7-12-8-6-10/h3-4,10,12H,5-9H2,1-2H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide?
N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide is sourced from PubChem (CID 79720456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).