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

C10H18N2O — CID 62546586

IUPACN-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C10H18N2O/c1-4-10(13)12(3)9-6-5-7-11(2)8-9/h4,9H,1,5-8H2,2-3H3
InChIKeyJBHYJKAGDGCHHV-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.73
Rot. Bonds2

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

N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide (PubChem CID 62546586) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide
PubChem CID62546586
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C10H18N2O/c1-4-10(13)12(3)9-6-5-7-11(2)8-9/h4,9H,1,5-8H2,2-3H3
InChIKeyJBHYJKAGDGCHHV-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
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-(1-methylpiperidin-3-yl)prop-2-enamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide (CID 62546586) is N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide is C=CC(=O)N(C)C1CCCN(C)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide?
The InChIKey is JBHYJKAGDGCHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-10(13)12(3)9-6-5-7-11(2)8-9/h4,9H,1,5-8H2,2-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide?
N-methyl-N-(1-methylpiperidin-3-yl)prop-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.73, 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)prop-2-enamide is sourced from PubChem (CID 62546586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).