1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid

C16H21NO4 — CID 119176089

IUPAC1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)COCCc1ccccc1
InChIInChI=1S/C16H21NO4/c18-15(17-10-5-4-8-14(17)16(19)20)12-21-11-9-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)
InChIKeyMIMJLWXQUAOHBN-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.71
Rot. Bonds6

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

1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid (PubChem CID 119176089) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
PubChem CID119176089
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)COCCc1ccccc1
InChIInChI=1S/C16H21NO4/c18-15(17-10-5-4-8-14(17)16(19)20)12-21-11-9-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)
InChIKeyMIMJLWXQUAOHBN-UHFFFAOYSA-N
XLogP1.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2R,3R)-2-methyl-1-[2-(2-phenylethoxy)acetyl]piperidine-3-carboxylic acid
CID 122115714
(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid
CID 79479882
(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid
CID 22958470
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029
(2S)-1-[3-(2-phenylethyldisulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 54508077
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid (CID 119176089) is 1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)COCCc1ccccc1.
What is the InChIKey of 1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid?
The InChIKey is MIMJLWXQUAOHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(17-10-5-4-8-14(17)16(19)20)12-21-11-9-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20).
What are the key properties of 1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid?
1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).