(3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide

C20H19F3N2O3 — CID 71816096

IUPAC(3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C20H19F3N2O3/c21-15-7-5-13(6-8-15)11-24-18(26)20(28)9-2-10-25(19(20)27)12-14-3-1-4-16(22)17(14)23/h1,3-8,28H,2,9-12H2,(H,24,26)/t20-/m1/s1
InChIKeyYVGXHHWSTTYKSC-HXUWFJFHSA-N
MW392.38 g/mol
LogP2.27
Rot. Bonds5

About (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide

(3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide (PubChem CID 71816096) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
PubChem CID71816096
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name(3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C20H19F3N2O3/c21-15-7-5-13(6-8-15)11-24-18(26)20(28)9-2-10-25(19(20)27)12-14-3-1-4-16(22)17(14)23/h1,3-8,28H,2,9-12H2,(H,24,26)/t20-/m1/s1
InChIKeyYVGXHHWSTTYKSC-HXUWFJFHSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide (CID 71816096) is (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide is O=C(NCc1ccc(F)cc1)[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O.
What is the InChIKey of (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide?
The InChIKey is YVGXHHWSTTYKSC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-15-7-5-13(6-8-15)11-24-18(26)20(28)9-2-10-25(19(20)27)12-14-3-1-4-16(22)17(14)23/h1,3-8,28H,2,9-12H2,(H,24,26)/t20-/m1/s1.
What are the key properties of (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide?
(3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 71816096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).