N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide

C17H17N3O3 — CID 111485570

IUPACN-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccco2)ccc1N1CCC(O)CC1
InChIInChI=1S/C17H17N3O3/c18-11-12-10-13(19-17(22)16-2-1-9-23-16)3-4-15(12)20-7-5-14(21)6-8-20/h1-4,9-10,14,21H,5-8H2,(H,19,22)
InChIKeyDPRRUPLKIUQKBN-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.36
Rot. Bonds3

About N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide

N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 111485570) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide
PubChem CID111485570
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccco2)ccc1N1CCC(O)CC1
InChIInChI=1S/C17H17N3O3/c18-11-12-10-13(19-17(22)16-2-1-9-23-16)3-4-15(12)20-7-5-14(21)6-8-20/h1-4,9-10,14,21H,5-8H2,(H,19,22)
InChIKeyDPRRUPLKIUQKBN-UHFFFAOYSA-N
XLogP2.36
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide
CID 111485579
N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-methylpropanamide
CID 111485547
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 110897057
N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-4,4,4-trifluorobutanamide
CID 111485552
N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 122182201
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 95986876
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
CID 886010
1-(4-chlorophenyl)-N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide;hydrate
CID 22228136
N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55457161

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide (CID 111485570) is N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide is N#Cc1cc(NC(=O)c2ccco2)ccc1N1CCC(O)CC1.
What is the InChIKey of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is DPRRUPLKIUQKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c18-11-12-10-13(19-17(22)16-2-1-9-23-16)3-4-15(12)20-7-5-14(21)6-8-20/h1-4,9-10,14,21H,5-8H2,(H,19,22).
What are the key properties of N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide?
N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 111485570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).