N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide

C15H18N2O3 — CID 166406168

IUPACN-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCCN(c2ccccc2OC)C1=O
InChIInChI=1S/C15H18N2O3/c1-3-14(18)16-11-7-6-10-17(15(11)19)12-8-4-5-9-13(12)20-2/h3-5,8-9,11H,1,6-7,10H2,2H3,(H,16,18)
InChIKeyLICKTWVSCKLYRO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.49
Rot. Bonds4

About N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide

N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide (PubChem CID 166406168) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
PubChem CID166406168
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCCN(c2ccccc2OC)C1=O
InChIInChI=1S/C15H18N2O3/c1-3-14(18)16-11-7-6-10-17(15(11)19)12-8-4-5-9-13(12)20-2/h3-5,8-9,11H,1,6-7,10H2,2H3,(H,16,18)
InChIKeyLICKTWVSCKLYRO-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide (CID 166406168) is N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide is C=CC(=O)NC1CCCN(c2ccccc2OC)C1=O.
What is the InChIKey of N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide?
The InChIKey is LICKTWVSCKLYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-14(18)16-11-7-6-10-17(15(11)19)12-8-4-5-9-13(12)20-2/h3-5,8-9,11H,1,6-7,10H2,2H3,(H,16,18).
What are the key properties of N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide?
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 166406168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).