N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide

C13H16N2O3 — CID 3137650

IUPACN-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCNC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-10-6-4-9(5-7-10)15-13(17)11-3-2-8-14-12(11)16/h4-7,11H,2-3,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyKMFYGKRUPHYUPM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.16
Rot. Bonds3

About N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide

N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide (PubChem CID 3137650) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide
PubChem CID3137650
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCNC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-18-10-6-4-9(5-7-10)15-13(17)11-3-2-8-14-12(11)16/h4-7,11H,2-3,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyKMFYGKRUPHYUPM-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide (CID 3137650) is N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCNC2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide?
The InChIKey is KMFYGKRUPHYUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-10-6-4-9(5-7-10)15-13(17)11-3-2-8-14-12(11)16/h4-7,11H,2-3,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide?
N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3137650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).