N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid

C28H38N2O9 — CID 644874

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
SMILESCOc1ccc(CN2CCC(C(=O)N(C)CCc3ccc(OC)c(OC)c3)CC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C26H36N2O5.C2H2O4/c1-27(13-10-19-6-9-23(31-3)25(16-19)33-5)26(29)20-11-14-28(15-12-20)18-21-7-8-22(30-2)17-24(21)32-4;3-1(4)2(5)6/h6-9,16-17,20H,10-15,18H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyWRKMWUAAJNMMFP-UHFFFAOYSA-N
MW546.62 g/mol
LogP2.79
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid (PubChem CID 644874) has the molecular formula C28H38N2O9 and a molecular weight of 546.62 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
PubChem CID644874
Molecular FormulaC28H38N2O9
Molecular Weight546.62 g/mol
Exact Mass546.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
SMILESCOc1ccc(CN2CCC(C(=O)N(C)CCc3ccc(OC)c(OC)c3)CC2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C26H36N2O5.C2H2O4/c1-27(13-10-19-6-9-23(31-3)25(16-19)33-5)26(29)20-11-14-28(15-12-20)18-21-7-8-22(30-2)17-24(21)32-4;3-1(4)2(5)6/h6-9,16-17,20H,10-15,18H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyWRKMWUAAJNMMFP-UHFFFAOYSA-N
XLogP2.79
TPSA135.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.62
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid 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-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid (CID 644874) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid is COc1ccc(CN2CCC(C(=O)N(C)CCc3ccc(OC)c(OC)c3)CC2)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
The InChIKey is WRKMWUAAJNMMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O5.C2H2O4/c1-27(13-10-19-6-9-23(31-3)25(16-19)33-5)26(29)20-11-14-28(15-12-20)18-21-7-8-22(30-2)17-24(21)32-4;3-1(4)2(5)6/h6-9,16-17,20H,10-15,18H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid has a molecular weight of 546.62 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 644874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).