1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide

C18H21FN4O3 — CID 38202313

IUPAC1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H21FN4O3/c1-12-10-16(22-26-12)21-17(24)14-6-8-23(9-7-14)18(25)20-11-13-2-4-15(19)5-3-13/h2-5,10,14H,6-9,11H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyYLJKGWOCGLMRTM-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.68
Rot. Bonds4

About 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide

1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide (PubChem CID 38202313) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
PubChem CID38202313
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H21FN4O3/c1-12-10-16(22-26-12)21-17(24)14-6-8-23(9-7-14)18(25)20-11-13-2-4-15(19)5-3-13/h2-5,10,14H,6-9,11H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyYLJKGWOCGLMRTM-UHFFFAOYSA-N
XLogP2.68
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Methyl-1,2-oxazol-3-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924386
1-(2-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
CID 3160077
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 707003
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(5-methyl-isoxazol-3-yl)-urea
CID 11487192
(2S)-1-benzoyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46872383
(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46873411
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)piperidine-4-carboxamide
CID 46883325
4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2292954
N-Cyclopentylcarbamoylmethyl-N-(4-fluoro-benzyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 649526
Pentanedioic acid (4-fluoro-benzyl)-(phenethylcarbamoyl-methyl)-amide (5-methyl-isoxazol-3-yl)-amide
CID 650411
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 807780
2-methyl-N-(5-methyl-3-isoxazolyl)-3-phenylacrylamide
CID 890161

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide (CID 38202313) is 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide is Cc1cc(NC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)no1.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide?
The InChIKey is YLJKGWOCGLMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-12-10-16(22-26-12)21-17(24)14-6-8-23(9-7-14)18(25)20-11-13-2-4-15(19)5-3-13/h2-5,10,14H,6-9,11H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide?
1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 38202313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).