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

C21H32N2O7 — CID 123132441

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
SMILESCCN(CC)C(=O)C1CCN(Cc2cccc(OC)c2OC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O3.C2H2O4/c1-5-21(6-2)19(22)15-10-12-20(13-11-15)14-16-8-7-9-17(23-3)18(16)24-4;3-1(4)2(5)6/h7-9,15H,5-6,10-14H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyYZQHGGZDDWTDKN-UHFFFAOYSA-N
MW424.49 g/mol
LogP1.94
Rot. Bonds7

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

1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid (PubChem CID 123132441) has the molecular formula C21H32N2O7 and a molecular weight of 424.49 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
PubChem CID123132441
Molecular FormulaC21H32N2O7
Molecular Weight424.49 g/mol
Exact Mass424.22
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
SMILESCCN(CC)C(=O)C1CCN(Cc2cccc(OC)c2OC)CC1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O3.C2H2O4/c1-5-21(6-2)19(22)15-10-12-20(13-11-15)14-16-8-7-9-17(23-3)18(16)24-4;3-1(4)2(5)6/h7-9,15H,5-6,10-14H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyYZQHGGZDDWTDKN-UHFFFAOYSA-N
XLogP1.94
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid (CID 123132441) is 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid is CCN(CC)C(=O)C1CCN(Cc2cccc(OC)c2OC)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid?
The InChIKey is YZQHGGZDDWTDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.C2H2O4/c1-5-21(6-2)19(22)15-10-12-20(13-11-15)14-16-8-7-9-17(23-3)18(16)24-4;3-1(4)2(5)6/h7-9,15H,5-6,10-14H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid?
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid has a molecular weight of 424.49 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 123132441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).