1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid

C18H26N2O5 — CID 119908123

IUPAC1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCCOc1ccc(OCCNC(=O)CN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O5/c1-2-24-15-3-5-16(6-4-15)25-12-9-19-17(21)13-20-10-7-14(8-11-20)18(22)23/h3-6,14H,2,7-13H2,1H3,(H,19,21)(H,22,23)
InChIKeyJIXNQAOBXCWYJH-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.38
Rot. Bonds9

About 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 119908123) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID119908123
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCCOc1ccc(OCCNC(=O)CN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H26N2O5/c1-2-24-15-3-5-16(6-4-15)25-12-9-19-17(21)13-20-10-7-14(8-11-20)18(22)23/h3-6,14H,2,7-13H2,1H3,(H,19,21)(H,22,23)
InChIKeyJIXNQAOBXCWYJH-UHFFFAOYSA-N
XLogP1.38
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-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

1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63030488
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908348
1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557450
1-[2-[(3-butoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907001
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905101
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 124742784
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907219

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid (CID 119908123) is 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid is CCOc1ccc(OCCNC(=O)CN2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is JIXNQAOBXCWYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-2-24-15-3-5-16(6-4-15)25-12-9-19-17(21)13-20-10-7-14(8-11-20)18(22)23/h3-6,14H,2,7-13H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119908123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).