(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid

C19H26N2O4 — CID 95291759

IUPAC(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1ccccc1[C@@H]1[C@H](C(=O)O)CCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C19H26N2O4/c1-14-4-2-3-5-15(14)18-16(19(23)24)6-7-17(22)21(18)9-8-20-10-12-25-13-11-20/h2-5,16,18H,6-13H2,1H3,(H,23,24)/t16-,18-/m1/s1
InChIKeyHGUXBEQHFMGUEZ-SJLPKXTDSA-N
MW346.43 g/mol
LogP1.69
Rot. Bonds5

About (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid

(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 95291759) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid
PubChem CID95291759
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1ccccc1[C@@H]1[C@H](C(=O)O)CCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C19H26N2O4/c1-14-4-2-3-5-15(14)18-16(19(23)24)6-7-17(22)21(18)9-8-20-10-12-25-13-11-20/h2-5,16,18H,6-13H2,1H3,(H,23,24)/t16-,18-/m1/s1
InChIKeyHGUXBEQHFMGUEZ-SJLPKXTDSA-N
XLogP1.69
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid (CID 95291759) is (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid is Cc1ccccc1[C@@H]1[C@H](C(=O)O)CCC(=O)N1CCN1CCOCC1.
What is the InChIKey of (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is HGUXBEQHFMGUEZ-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-4-2-3-5-15(14)18-16(19(23)24)6-7-17(22)21(18)9-8-20-10-12-25-13-11-20/h2-5,16,18H,6-13H2,1H3,(H,23,24)/t16-,18-/m1/s1.
What are the key properties of (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid?
(2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 95291759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).