4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid

C14H17NO3 — CID 54593505

IUPAC4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid
SMILESC[C@H](c1ccccc1)N1CCC(=O)CC1C(=O)O
InChIInChI=1S/C14H17NO3/c1-10(11-5-3-2-4-6-11)15-8-7-12(16)9-13(15)14(17)18/h2-6,10,13H,7-9H2,1H3,(H,17,18)/t10-,13?/m1/s1
InChIKeyRGVYDAWOMVADLH-VUUHIHSGSA-N
MW247.29 g/mol
LogP1.87
Rot. Bonds3

About 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid

4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid (PubChem CID 54593505) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid
PubChem CID54593505
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid
SMILESC[C@H](c1ccccc1)N1CCC(=O)CC1C(=O)O
InChIInChI=1S/C14H17NO3/c1-10(11-5-3-2-4-6-11)15-8-7-12(16)9-13(15)14(17)18/h2-6,10,13H,7-9H2,1H3,(H,17,18)/t10-,13?/m1/s1
InChIKeyRGVYDAWOMVADLH-VUUHIHSGSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
CID 13198301
(2S)-2-methyl-1-(1-phenylethyl)piperidin-4-one
CID 69069233
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
2-methyl-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 10965971
2-methyl-1-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 131856193
5-(1-phenylethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65072363
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
(2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid
CID 14314235
2-methyl-1-[1-(4-methylphenyl)ethyl]piperidin-4-one
CID 54976202
1-(1-phenylethyl)aziridine-2-carboxamide
CID 3891776
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid (CID 54593505) is 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid is C[C@H](c1ccccc1)N1CCC(=O)CC1C(=O)O.
What is the InChIKey of 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid?
The InChIKey is RGVYDAWOMVADLH-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(11-5-3-2-4-6-11)15-8-7-12(16)9-13(15)14(17)18/h2-6,10,13H,7-9H2,1H3,(H,17,18)/t10-,13?/m1/s1.
What are the key properties of 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid?
4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(1R)-1-phenylethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 54593505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).