1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid

C17H24N2O6 — CID 122006872

IUPAC1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cc(OC)cc(OCCNC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C17H24N2O6/c1-23-13-8-14(24-2)10-15(9-13)25-7-5-18-17(22)19-6-3-4-12(11-19)16(20)21/h8-10,12H,3-7,11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyXPYUGYPGMDGNBZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.59
Rot. Bonds7

About 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid

1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122006872) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122006872
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cc(OC)cc(OCCNC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C17H24N2O6/c1-23-13-8-14(24-2)10-15(9-13)25-7-5-18-17(22)19-6-3-4-12(11-19)16(20)21/h8-10,12H,3-7,11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyXPYUGYPGMDGNBZ-UHFFFAOYSA-N
XLogP1.59
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 112975604
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
1-[2-(4-chloro-3-fluorophenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122016449
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
(3R)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120067
(3S)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125882
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001774
(3S)-1-[2-(3-methylbutoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125959
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112975668

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122006872) is 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid is COc1cc(OC)cc(OCCNC(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XPYUGYPGMDGNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-23-13-8-14(24-2)10-15(9-13)25-7-5-18-17(22)19-6-3-4-12(11-19)16(20)21/h8-10,12H,3-7,11H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122006872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).