2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide

C21H22F2N2O2 — CID 95549350

IUPAC2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1
InChIInChI=1S/C21H22F2N2O2/c22-18-9-4-10-19(23)17(18)12-11-15-6-5-13-25(14-15)21(27)20(26)24-16-7-2-1-3-8-16/h1-4,7-10,15H,5-6,11-14H2,(H,24,26)/t15-/m1/s1
InChIKeyFPMBHJZBKOGXQJ-OAHLLOKOSA-N
MW372.42 g/mol
LogP3.77
Rot. Bonds4

About 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide

2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide (PubChem CID 95549350) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide
PubChem CID95549350
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1
InChIInChI=1S/C21H22F2N2O2/c22-18-9-4-10-19(23)17(18)12-11-15-6-5-13-25(14-15)21(27)20(26)24-16-7-2-1-3-8-16/h1-4,7-10,15H,5-6,11-14H2,(H,24,26)/t15-/m1/s1
InChIKeyFPMBHJZBKOGXQJ-OAHLLOKOSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide
CID 56869067
2-amino-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95548860
2-cyclopropyl-1-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 25452784
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 45237227
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42395196
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56919166
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 56872892
methyl 5-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-5-oxopentanoate
CID 42508162
N-[3-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 95551093
4-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95532286
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 25299156

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide (CID 95549350) is 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide is O=C(Nc1ccccc1)C(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1.
What is the InChIKey of 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide?
The InChIKey is FPMBHJZBKOGXQJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c22-18-9-4-10-19(23)17(18)12-11-15-6-5-13-25(14-15)21(27)20(26)24-16-7-2-1-3-8-16/h1-4,7-10,15H,5-6,11-14H2,(H,24,26)/t15-/m1/s1.
What are the key properties of 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide?
2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide has a molecular weight of 372.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 95549350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).