5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid

C17H24N2O5 — CID 42865225

IUPAC5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCNC(=O)N1CC(C(=O)O)CC(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H24N2O5/c1-4-18-17(22)19-9-12(7-13(10-19)16(20)21)11-5-6-14(23-2)15(8-11)24-3/h5-6,8,12-13H,4,7,9-10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeySCRSMWCZZKIZMO-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.92
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid

5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 42865225) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID42865225
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCNC(=O)N1CC(C(=O)O)CC(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C17H24N2O5/c1-4-18-17(22)19-9-12(7-13(10-19)16(20)21)11-5-6-14(23-2)15(8-11)24-3/h5-6,8,12-13H,4,7,9-10H2,1-3H3,(H,18,22)(H,20,21)
InChIKeySCRSMWCZZKIZMO-UHFFFAOYSA-N
XLogP1.92
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
CID 46065367
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
5-methyl-1-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122121950
1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42865379
3-N-cyclopropyl-1-N-ethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865415
(3S,4R)-4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124858013
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 46065117
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid (CID 42865225) is 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid is CCNC(=O)N1CC(C(=O)O)CC(c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is SCRSMWCZZKIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-4-18-17(22)19-9-12(7-13(10-19)16(20)21)11-5-6-14(23-2)15(8-11)24-3/h5-6,8,12-13H,4,7,9-10H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid?
5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 42865225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).