(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide

C16H21FN2O3 — CID 110087175

IUPAC(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-18-16(21)12-7-8-14(20)19(9-10-22-2)15(12)11-5-3-4-6-13(11)17/h3-6,12,15H,7-10H2,1-2H3,(H,18,21)/t12-,15+/m1/s1
InChIKeyADDSEGJOKQXRRB-DOMZBBRYSA-N
MW308.35 g/mol
LogP1.50
Rot. Bonds5

About (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide

(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 110087175) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID110087175
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F
InChIInChI=1S/C16H21FN2O3/c1-18-16(21)12-7-8-14(20)19(9-10-22-2)15(12)11-5-3-4-6-13(11)17/h3-6,12,15H,7-10H2,1-2H3,(H,18,21)/t12-,15+/m1/s1
InChIKeyADDSEGJOKQXRRB-DOMZBBRYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 110087175) is (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide is CNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1F.
What is the InChIKey of (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is ADDSEGJOKQXRRB-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-18-16(21)12-7-8-14(20)19(9-10-22-2)15(12)11-5-3-4-6-13(11)17/h3-6,12,15H,7-10H2,1-2H3,(H,18,21)/t12-,15+/m1/s1.
What are the key properties of (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).