(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

Analyze (3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
CID 174550650
benzyl N-[[2-[(3R)-3-benzylpiperidin-3-yl]-2-oxoethyl]-methylamino]-N-methylcarbamate
CID 171480790
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl 2-[1-(dihydroxymethyl)cyclopentyl]acetate
CID 123352150
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
3-O'-benzyl 3-O-ethyl piperidine-3,3-dicarboxylate
CID 22078511
benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
3-[(3-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132717
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493
3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829

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).