N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide

C14H18N2O4 — CID 2912059

IUPACN-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCNC2=O)c1
InChIInChI=1S/C14H18N2O4/c1-19-9-5-6-12(20-2)11(8-9)16-14(18)10-4-3-7-15-13(10)17/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySRFJLFPOTVRMKY-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.17
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide

N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide (PubChem CID 2912059) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
PubChem CID2912059
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCCNC2=O)c1
InChIInChI=1S/C14H18N2O4/c1-19-9-5-6-12(20-2)11(8-9)16-14(18)10-4-3-7-15-13(10)17/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySRFJLFPOTVRMKY-UHFFFAOYSA-N
XLogP1.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide (CID 2912059) is N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide is COc1ccc(OC)c(NC(=O)C2CCCNC2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide?
The InChIKey is SRFJLFPOTVRMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-9-5-6-12(20-2)11(8-9)16-14(18)10-4-3-7-15-13(10)17/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 2912059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).