5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide

C18H19N3O3 — CID 11186408

IUPAC5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2cc(CO)ccc2N2CCCCC2)o1
InChIInChI=1S/C18H19N3O3/c19-11-14-5-7-17(24-14)18(23)20-15-10-13(12-22)4-6-16(15)21-8-2-1-3-9-21/h4-7,10,22H,1-3,8-9,12H2,(H,20,23)
InChIKeyPGPQSLHHTKQTOY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.89
Rot. Bonds4

About 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide

5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide (PubChem CID 11186408) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
PubChem CID11186408
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2cc(CO)ccc2N2CCCCC2)o1
InChIInChI=1S/C18H19N3O3/c19-11-14-5-7-17(24-14)18(23)20-15-10-13(12-22)4-6-16(15)21-8-2-1-3-9-21/h4-7,10,22H,1-3,8-9,12H2,(H,20,23)
InChIKeyPGPQSLHHTKQTOY-UHFFFAOYSA-N
XLogP2.89
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

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
5-Cyano-furan-2-carboxylic acid [4-(1-acetyl-piperidin-4-yl)-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
CID 11575682
5-Cyano-furan-2-carboxylic acid [2-(4-methyl-piperidin-1-yl)-4-piperidin-4-yl-phenyl]-amide
CID 11621465
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
N-{2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}furan-2-carboxamide
CID 1087124
5-Methyl-~{n}-[2-(4-Methylpiperazin-1-Yl)-5-(Trifluoromethyl)phenyl]furan-2-Carboxamide
CID 16367133
Aryl piperidine, 9f
CID 44236974
Aryl piperidine, 9g
CID 44236975
Aryl piperidine, 9i
CID 44236977
3,4-Bis-[(furan-2-carbonyl)-amino]-benzoic acid
CID 740282

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide (CID 11186408) is 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide is N#Cc1ccc(C(=O)Nc2cc(CO)ccc2N2CCCCC2)o1.
What is the InChIKey of 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
The InChIKey is PGPQSLHHTKQTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c19-11-14-5-7-17(24-14)18(23)20-15-10-13(12-22)4-6-16(15)21-8-2-1-3-9-21/h4-7,10,22H,1-3,8-9,12H2,(H,20,23).
What are the key properties of 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide?
5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[5-(hydroxymethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide is sourced from PubChem (CID 11186408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).