(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

C16H21NO5 — CID 16762508

IUPAC(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO5/c1-4-17-14(18)8-7-12(16(19)20)15(17)11-6-5-10(21-2)9-13(11)22-3/h5-6,9,12,15H,4,7-8H2,1-3H3,(H,19,20)/t12-,15+/m1/s1
InChIKeyLVQXQKXCMBOFAI-DOMZBBRYSA-N
MW307.35 g/mol
LogP2.09
Rot. Bonds5

About (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 16762508) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID16762508
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO5/c1-4-17-14(18)8-7-12(16(19)20)15(17)11-6-5-10(21-2)9-13(11)22-3/h5-6,9,12,15H,4,7-8H2,1-3H3,(H,19,20)/t12-,15+/m1/s1
InChIKeyLVQXQKXCMBOFAI-DOMZBBRYSA-N
XLogP2.09
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid (CID 16762508) is (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid is CCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1OC.
What is the InChIKey of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is LVQXQKXCMBOFAI-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-4-17-14(18)8-7-12(16(19)20)15(17)11-6-5-10(21-2)9-13(11)22-3/h5-6,9,12,15H,4,7-8H2,1-3H3,(H,19,20)/t12-,15+/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid?
(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 16762508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).