1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid

C16H21NO5 — CID 119166059

IUPAC1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCCOc2ccccc2)CC1
InChIInChI=1S/C16H21NO5/c18-15(17-8-6-13(7-9-17)16(19)20)12-21-10-11-22-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,20)
InChIKeyAJDSUVHTIOKOBF-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.41
Rot. Bonds7

About 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid

1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 119166059) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID119166059
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCCOc2ccccc2)CC1
InChIInChI=1S/C16H21NO5/c18-15(17-8-6-13(7-9-17)16(19)20)12-21-10-11-22-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,20)
InChIKeyAJDSUVHTIOKOBF-UHFFFAOYSA-N
XLogP1.41
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide
CID 55932037
1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid
CID 62657041
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenoxyethoxy)ethanone;hydrochloride
CID 119483479
1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
CID 2462231
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 95352392
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55756147
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
1-[4-(2-iodobenzoyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55916804
1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid
CID 63934028
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid (CID 119166059) is 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COCCOc2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is AJDSUVHTIOKOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c18-15(17-8-6-13(7-9-17)16(19)20)12-21-10-11-22-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,20).
What are the key properties of 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).