N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide

C15H18N2O3 — CID 159850642

IUPACN-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide
SMILESC=C1CCC(C(=O)N(C)c2ccccc2OC)C(=O)N1
InChIInChI=1S/C15H18N2O3/c1-10-8-9-11(14(18)16-10)15(19)17(2)12-6-4-5-7-13(12)20-3/h4-7,11H,1,8-9H2,2-3H3,(H,16,18)
InChIKeyWVAFMNOOXHGWLC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.70
Rot. Bonds3

About N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide

N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide (PubChem CID 159850642) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide
PubChem CID159850642
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide
SMILESC=C1CCC(C(=O)N(C)c2ccccc2OC)C(=O)N1
InChIInChI=1S/C15H18N2O3/c1-10-8-9-11(14(18)16-10)15(19)17(2)12-6-4-5-7-13(12)20-3/h4-7,11H,1,8-9H2,2-3H3,(H,16,18)
InChIKeyWVAFMNOOXHGWLC-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide
CID 167598077
4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782486
ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one
CID 171788634
3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835053
(1S,6R)-6-[(2-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962350
N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 63104359
N-(2-methoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51121534
2-(azetidin-3-yl)-N-(2-methoxyphenyl)-N-methylacetamide
CID 64609788
1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334
4-ethyl-N-(2-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 63129012
N-(2-methoxyphenyl)-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611367
5-[(2-methoxy-N-methylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79856120

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide (CID 159850642) is N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide is C=C1CCC(C(=O)N(C)c2ccccc2OC)C(=O)N1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide?
The InChIKey is WVAFMNOOXHGWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-8-9-11(14(18)16-10)15(19)17(2)12-6-4-5-7-13(12)20-3/h4-7,11H,1,8-9H2,2-3H3,(H,16,18).
What are the key properties of N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide?
N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 159850642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).