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

C15H19NO4 — CID 174550650

IUPAC4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCNCC1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-13(20-11-12-4-2-1-3-5-12)10-15(14(18)19)6-8-16-9-7-15/h1-5,16H,6-11H2,(H,18,19)
InChIKeyYCMGOFLMNBEFJM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.57
Rot. Bonds5

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

4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid (PubChem CID 174550650) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
PubChem CID174550650
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCNCC1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-13(20-11-12-4-2-1-3-5-12)10-15(14(18)19)6-8-16-9-7-15/h1-5,16H,6-11H2,(H,18,19)
InChIKeyYCMGOFLMNBEFJM-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 124673479
4-benzylpiperidine-4-carboxylic acid
CID 18365178
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
benzyl 2-amino-2-(4-methylpiperidin-4-yl)acetate
CID 174415897
benzyl 2-(4-hydroxypiperidin-4-yl)propanoate
CID 135317783
benzyl 6-azaspiro[2.5]octane-2-carboxylate
CID 163299046
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
benzyl 2-(1-nitrocyclopropyl)acetate
CID 121000461
benzyl 2-[1-(dihydroxymethyl)cyclopentyl]acetate
CID 123352150
benzyl 2-(piperidin-4-ylamino)acetate
CID 19853378
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
benzyl 2-(4-hydroxy-1,1-dioxothian-4-yl)acetate
CID 117272507

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid (CID 174550650) is 4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid is O=C(CC1(C(=O)O)CCNCC1)OCc1ccccc1.
What is the InChIKey of 4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid?
The InChIKey is YCMGOFLMNBEFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13(20-11-12-4-2-1-3-5-12)10-15(14(18)19)6-8-16-9-7-15/h1-5,16H,6-11H2,(H,18,19).
What are the key properties of 4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid?
4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.57, 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-4-carboxylic acid is sourced from PubChem (CID 174550650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).