1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H22FN3O3 — CID 24790116

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)on1
InChIInChI=1S/C19H22FN3O3/c1-13-9-17(26-22-13)11-21-19(25)15-5-6-18(24)23(12-15)8-7-14-3-2-4-16(20)10-14/h2-4,9-10,15H,5-8,11-12H2,1H3,(H,21,25)
InChIKeyAFIZBNGRFQGMCY-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.22
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790116) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790116
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)on1
InChIInChI=1S/C19H22FN3O3/c1-13-9-17(26-22-13)11-21-19(25)15-5-6-18(24)23(12-15)8-7-14-3-2-4-16(20)10-14/h2-4,9-10,15H,5-8,11-12H2,1H3,(H,21,25)
InChIKeyAFIZBNGRFQGMCY-UHFFFAOYSA-N
XLogP2.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[4,3-c][1,2]oxazol-5-yl]butan-1-one
CID 23645931
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-4H,5H,6H,7H-pyrido[3,4-c][1,2]oxazol-6-yl]butan-1-one
CID 23645936
N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127040522
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209090
N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name)
CID 139209092
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146
3-(2-fluorophenyl)-N-[3-(morpholin-4-yl)propyl]-1,2-oxazole-5-carboxamide
CID 17096081
5-(4-fluorophenyl)-N-(2-morpholinoethyl)isoxazole-3-carboxamide
CID 3236843
5-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)isoxazole-3-carboxamide
CID 3243233
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(3-methylisoxazol-5-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790116) is 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)on1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is AFIZBNGRFQGMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13-9-17(26-22-13)11-21-19(25)15-5-6-18(24)23(12-15)8-7-14-3-2-4-16(20)10-14/h2-4,9-10,15H,5-8,11-12H2,1H3,(H,21,25).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).