(3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide

C19H17F3N2O2 — CID 155163703

IUPAC(3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCC[C@H](Cc2ccc(F)cc2)[C@@H]1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C19H17F3N2O2/c20-13-6-4-11(5-7-13)10-12-8-9-23-18(25)16(12)19(26)24-15-3-1-2-14(21)17(15)22/h1-7,12,16H,8-10H2,(H,23,25)(H,24,26)/t12-,16+/m1/s1
InChIKeyRYOXJZHMXOUCHW-WBMJQRKESA-N
MW362.35 g/mol
LogP3.04
Rot. Bonds4

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

(3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide (PubChem CID 155163703) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is (3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide
PubChem CID155163703
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name(3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCC[C@H](Cc2ccc(F)cc2)[C@@H]1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C19H17F3N2O2/c20-13-6-4-11(5-7-13)10-12-8-9-23-18(25)16(12)19(26)24-15-3-1-2-14(21)17(15)22/h1-7,12,16H,8-10H2,(H,23,25)(H,24,26)/t12-,16+/m1/s1
InChIKeyRYOXJZHMXOUCHW-WBMJQRKESA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 158374692
(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 165061569
(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
(3R,4S)-4-[5-(difluoromethyl)thiophen-3-yl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412038
(3R,4S)-N-(2,3-difluorophenyl)-2-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 134412253
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
(3R,4R)-N-(2,3-difluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134412252
4-[3-(difluoromethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-N-(2-fluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;(3S)-N-(2,3-difluorophenyl)-4-(4-fluorophenyl)-1-methyl-2-oxopiperidine-3-carboxamide;(3R)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 157240963
(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide
CID 134412150
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
N-(2,3-dimethylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 24621420
N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 127263481

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide (CID 155163703) is (3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide is O=C1NCC[C@H](Cc2ccc(F)cc2)[C@@H]1C(=O)Nc1cccc(F)c1F.
What is the InChIKey of (3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide?
The InChIKey is RYOXJZHMXOUCHW-WBMJQRKESA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-13-6-4-11(5-7-13)10-12-8-9-23-18(25)16(12)19(26)24-15-3-1-2-14(21)17(15)22/h1-7,12,16H,8-10H2,(H,23,25)(H,24,26)/t12-,16+/m1/s1.
What are the key properties of (3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide?
(3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 155163703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).