4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid

C17H24N2O5 — CID 87578431

IUPAC4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid
SMILESCOc1ccc(C(C)=NOCCOC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C17H24N2O5/c1-13(14-3-5-15(22-2)6-4-14)18-24-12-11-23-16-7-9-19(10-8-16)17(20)21/h3-6,16H,7-12H2,1-2H3,(H,20,21)
InChIKeySNNICSZAFILMME-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.59
Rot. Bonds7

About 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid

4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid (PubChem CID 87578431) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid
PubChem CID87578431
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid
SMILESCOc1ccc(C(C)=NOCCOC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C17H24N2O5/c1-13(14-3-5-15(22-2)6-4-14)18-24-12-11-23-16-7-9-19(10-8-16)17(20)21/h3-6,16H,7-12H2,1-2H3,(H,20,21)
InChIKeySNNICSZAFILMME-UHFFFAOYSA-N
XLogP2.59
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid (CID 87578431) is 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid is COc1ccc(C(C)=NOCCOC2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid?
The InChIKey is SNNICSZAFILMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-13(14-3-5-15(22-2)6-4-14)18-24-12-11-23-16-7-9-19(10-8-16)17(20)21/h3-6,16H,7-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid?
4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-methoxyphenyl)ethylideneamino]oxyethoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 87578431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).