1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C18H19FN4O2 — CID 167912663

IUPAC1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCCc1conc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1
InChIInChI=1S/C18H19FN4O2/c1-2-13-11-25-22-17(13)21-18(24)14-5-7-23(8-6-14)16-4-3-12(10-20)9-15(16)19/h3-4,9,11,14H,2,5-8H2,1H3,(H,21,22,24)
InChIKeyPLAQTDJCKAFTEQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 167912663) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID167912663
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCCc1conc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1
InChIInChI=1S/C18H19FN4O2/c1-2-13-11-25-22-17(13)21-18(24)14-5-7-23(8-6-14)16-4-3-12(10-20)9-15(16)19/h3-4,9,11,14H,2,5-8H2,1H3,(H,21,22,24)
InChIKeyPLAQTDJCKAFTEQ-UHFFFAOYSA-N
XLogP3.10
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyano-2-fluorophenyl)-N-[2-(propanoylamino)ethyl]piperidine-4-carboxamide
CID 166286739
1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide
CID 155946287
1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide
CID 155954791
(3S)-1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 94917986
4-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-3-fluorobenzonitrile
CID 94817550
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
(3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 129487311
1-(4-cyano-2-fluorophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]piperidine-4-carboxamide
CID 155945961
3-fluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 62663101
1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide
CID 167966784
1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47089927
4-(4-butanoylpiperazin-1-yl)-3-fluorobenzonitrile
CID 6486813

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 167912663) is 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is CCc1conc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is PLAQTDJCKAFTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-2-13-11-25-22-17(13)21-18(24)14-5-7-23(8-6-14)16-4-3-12(10-20)9-15(16)19/h3-4,9,11,14H,2,5-8H2,1H3,(H,21,22,24).
What are the key properties of 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 167912663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).