N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide

C11H20N2O — CID 79005735

IUPACN-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
SMILESCC=CC(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C11H20N2O/c1-4-6-11(14)13(3)10-7-5-8-12(2)9-10/h4,6,10H,5,7-9H2,1-3H3
InChIKeyIMNITNUCVMWTQG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.12
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide

N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide (PubChem CID 79005735) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
PubChem CID79005735
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
SMILESCC=CC(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C11H20N2O/c1-4-6-11(14)13(3)10-7-5-8-12(2)9-10/h4,6,10H,5,7-9H2,1-3H3
InChIKeyIMNITNUCVMWTQG-UHFFFAOYSA-N
XLogP1.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.12
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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Related Compounds

N-cyclohexyl-N-methylbut-2-enamide
CID 78907896
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
N,3-dimethyl-N-(1-methylpyrrolidin-3-yl)but-2-enamide
CID 130598254
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoic acid
CID 82820537
N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide
CID 167892342
2-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 64824632
N-methyl-N-(4-methylcyclohexyl)but-2-enamide
CID 112725199

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide (CID 79005735) is N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide is CC=CC(=O)N(C)C1CCCN(C)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide?
The InChIKey is IMNITNUCVMWTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-11(14)13(3)10-7-5-8-12(2)9-10/h4,6,10H,5,7-9H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide?
N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide is sourced from PubChem (CID 79005735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).