(2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid

C20H19Cl2NO3 — CID 91971262

IUPAC(2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C20H19Cl2NO3/c21-14-7-5-13(6-8-14)11-12-23-18(24)10-9-16(20(25)26)19(23)15-3-1-2-4-17(15)22/h1-8,16,19H,9-12H2,(H,25,26)/t16-,19+/m1/s1
InChIKeyHVRGSGUCGHDVGY-APWZRJJASA-N
MW392.28 g/mol
LogP4.60
Rot. Bonds5

About (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid

(2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 91971262) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID91971262
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Name(2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C20H19Cl2NO3/c21-14-7-5-13(6-8-14)11-12-23-18(24)10-9-16(20(25)26)19(23)15-3-1-2-4-17(15)22/h1-8,16,19H,9-12H2,(H,25,26)/t16-,19+/m1/s1
InChIKeyHVRGSGUCGHDVGY-APWZRJJASA-N
XLogP4.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid (CID 91971262) is (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)[C@H]1c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is HVRGSGUCGHDVGY-APWZRJJASA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c21-14-7-5-13(6-8-14)11-12-23-18(24)10-9-16(20(25)26)19(23)15-3-1-2-4-17(15)22/h1-8,16,19H,9-12H2,(H,25,26)/t16-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid?
(2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 392.28 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 91971262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).