1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid

C22H28N2O4 — CID 58723260

IUPAC1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCOc2ccc(OCCCc3ccccc3)nc2)CC1
InChIInChI=1S/C22H28N2O4/c25-22(26)19-10-12-24(13-11-19)14-16-27-20-8-9-21(23-17-20)28-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19H,4,7,10-16H2,(H,25,26)
InChIKeyVOAJHVVBQQKULY-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.27
Rot. Bonds10

About 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid

1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid (PubChem CID 58723260) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid
PubChem CID58723260
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCOc2ccc(OCCCc3ccccc3)nc2)CC1
InChIInChI=1S/C22H28N2O4/c25-22(26)19-10-12-24(13-11-19)14-16-27-20-8-9-21(23-17-20)28-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19H,4,7,10-16H2,(H,25,26)
InChIKeyVOAJHVVBQQKULY-UHFFFAOYSA-N
XLogP3.27
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-[4-(3-phenylpropoxy)phenyl]prop-2-enyl]piperidine-4-carboxylic acid;hydrochloride
CID 66852517
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 66852965
[5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate
CID 15952238
1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 141156895
1-[4-[2-[2-(4-fluorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid
CID 12852626
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
5-oxo-1-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 22686439
4-phenylmethoxy-1-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyridin-2-one
CID 58964959

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid (CID 58723260) is 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCOc2ccc(OCCCc3ccccc3)nc2)CC1.
What is the InChIKey of 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid?
The InChIKey is VOAJHVVBQQKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c25-22(26)19-10-12-24(13-11-19)14-16-27-20-8-9-21(23-17-20)28-15-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19H,4,7,10-16H2,(H,25,26).
What are the key properties of 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid?
1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid has a molecular weight of 384.48 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 58723260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).