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

C21H26FN3O3 — CID 24819349

IUPAC1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)on1
InChIInChI=1S/C21H26FN3O3/c1-2-4-18-12-19(28-24-18)13-23-21(27)16-7-8-20(26)25(14-16)10-9-15-5-3-6-17(22)11-15/h3,5-6,11-12,16H,2,4,7-10,13-14H2,1H3,(H,23,27)
InChIKeyDZOBMVYFIAKYFY-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.86
Rot. Bonds8

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

1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 24819349) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID24819349
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)on1
InChIInChI=1S/C21H26FN3O3/c1-2-4-18-12-19(28-24-18)13-23-21(27)16-7-8-20(26)25(14-16)10-9-15-5-3-6-17(22)11-15/h3,5-6,11-12,16H,2,4,7-10,13-14H2,1H3,(H,23,27)
InChIKeyDZOBMVYFIAKYFY-UHFFFAOYSA-N
XLogP2.86
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
(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-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-2-methylpropanamide
CID 1484363
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
N-cyclohexyl-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 15992620
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
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3236125
5-(4-fluorophenyl)-N-(2-morpholinoethyl)isoxazole-3-carboxamide
CID 3236843

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 24819349) is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is CCCc1cc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)on1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is DZOBMVYFIAKYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-2-4-18-12-19(28-24-18)13-23-21(27)16-7-8-20(26)25(14-16)10-9-15-5-3-6-17(22)11-15/h3,5-6,11-12,16H,2,4,7-10,13-14H2,1H3,(H,23,27).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.86, 8 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]-6-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24819349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).