4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid

C15H19NO4 — CID 174621370

IUPAC4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
SMILESO=C(CC1CCNCC1C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(20-10-11-4-2-1-3-5-11)8-12-6-7-16-9-13(12)15(18)19/h1-5,12-13,16H,6-10H2,(H,18,19)
InChIKeyBKYGFLWVGOYNLK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.43
Rot. Bonds5

About 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid

4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid (PubChem CID 174621370) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
PubChem CID174621370
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
SMILESO=C(CC1CCNCC1C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(20-10-11-4-2-1-3-5-11)8-12-6-7-16-9-13(12)15(18)19/h1-5,12-13,16H,6-10H2,(H,18,19)
InChIKeyBKYGFLWVGOYNLK-UHFFFAOYSA-N
XLogP1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174647596
benzyl 2-morpholin-2-ylacetate
CID 66434624
cis-(1R,3S)-3-(2-oxo-2-phenylmethoxyethyl)cyclohexane-1-carboxylic acid
CID 158241245
benzyl 2-(piperidin-4-ylamino)acetate
CID 19853378
3-aminopiperidin-4-ol;benzyl carbonochloridate
CID 175289622
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 146279077
benzyl 2-(2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 155012287
benzyl 2-amino-2-pyrrolidin-3-ylacetate
CID 71302808
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate
CID 54157501
benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid (CID 174621370) is 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid is O=C(CC1CCNCC1C(=O)O)OCc1ccccc1.
What is the InChIKey of 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is BKYGFLWVGOYNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(20-10-11-4-2-1-3-5-11)8-12-6-7-16-9-13(12)15(18)19/h1-5,12-13,16H,6-10H2,(H,18,19).
What are the key properties of 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid?
4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 174621370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).