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

C15H19NO4 — CID 124673479

IUPAC(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
SMILESO=C(C[C@]1(C(=O)O)CCCNC1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-13(20-10-12-5-2-1-3-6-12)9-15(14(18)19)7-4-8-16-11-15/h1-3,5-6,16H,4,7-11H2,(H,18,19)/t15-/m1/s1
InChIKeyMBXMBDNRDAJLON-OAHLLOKOSA-N
MW277.32 g/mol
LogP1.57
Rot. Bonds5

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

(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid (PubChem CID 124673479) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
PubChem CID124673479
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
SMILESO=C(C[C@]1(C(=O)O)CCCNC1)OCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-13(20-10-12-5-2-1-3-6-12)9-15(14(18)19)7-4-8-16-11-15/h1-3,5-6,16H,4,7-11H2,(H,18,19)/t15-/m1/s1
InChIKeyMBXMBDNRDAJLON-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid (CID 124673479) is (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid is O=C(C[C@]1(C(=O)O)CCCNC1)OCc1ccccc1.
What is the InChIKey of (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is MBXMBDNRDAJLON-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO4/c17-13(20-10-12-5-2-1-3-6-12)9-15(14(18)19)7-4-8-16-11-15/h1-3,5-6,16H,4,7-11H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid?
(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-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 (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 124673479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).