5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide

C17H16FN3O2 — CID 11232236

IUPAC5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)cc2N2CCCCC2)o1
InChIInChI=1S/C17H16FN3O2/c18-12-4-6-14(15(10-12)21-8-2-1-3-9-21)20-17(22)16-7-5-13(11-19)23-16/h4-7,10H,1-3,8-9H2,(H,20,22)
InChIKeyZVAQSZOXWQRADX-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.53
Rot. Bonds3

About 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide

5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 11232236) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide
PubChem CID11232236
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)cc2N2CCCCC2)o1
InChIInChI=1S/C17H16FN3O2/c18-12-4-6-14(15(10-12)21-8-2-1-3-9-21)20-17(22)16-7-5-13(11-19)23-16/h4-7,10H,1-3,8-9H2,(H,20,22)
InChIKeyZVAQSZOXWQRADX-UHFFFAOYSA-N
XLogP3.53
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Cyano-N-[4-(4-Methylpiperazin-1-Yl)-2-Piperidin-1-Ylphenyl]furan-2-Carboxamide
CID 11502871
5-Cyano-furan-2-carboxylic acid (5-hydroxymethyl-2-(4-methyl-piperidin-1-YL)-phenyl)-amide
CID 9884318
5-methyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4799939
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
5-Cyano-furan-2-carboxylic acid [4-(1-acetyl-piperidin-4-yl)-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
CID 11575682
5-cyano-N-(2-(4-methylpiperidin-1-yl)-4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)furan-2-carboxamide
CID 11619776
5-Cyano-furan-2-carboxylic acid [2-(4-methyl-piperidin-1-yl)-4-piperidin-4-yl-phenyl]-amide
CID 11621465
5-Cyano-furan-2-carboxylic acid [4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-2-piperidin-1-yl-phenyl]-amide
CID 11654827
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
CID 11669846
5-cyano-N-(4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11685397
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11690004
5-cyano-N-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 161198075

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide (CID 11232236) is 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(F)cc2N2CCCCC2)o1.
What is the InChIKey of 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is ZVAQSZOXWQRADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-12-4-6-14(15(10-12)21-8-2-1-3-9-21)20-17(22)16-7-5-13(11-19)23-16/h4-7,10H,1-3,8-9H2,(H,20,22).
What are the key properties of 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide?
5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-fluoro-2-piperidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 11232236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).