N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide

C19H23N3O3 — CID 655319

IUPACN-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-4-18(23)22-12-10-21(11-13-22)16-8-6-15(7-9-16)20-19(24)17-5-3-14-25-17/h3,5-9,14H,2,4,10-13H2,1H3,(H,20,24)
InChIKeyQFQJVLXUCRVNTA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.98
Rot. Bonds5

About N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide

N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 655319) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID655319
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1
InChIInChI=1S/C19H23N3O3/c1-2-4-18(23)22-12-10-21(11-13-22)16-8-6-15(7-9-16)20-19(24)17-5-3-14-25-17/h3,5-9,14H,2,4,10-13H2,1H3,(H,20,24)
InChIKeyQFQJVLXUCRVNTA-UHFFFAOYSA-N
XLogP2.98
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 655319) is N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide is CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1.
What is the InChIKey of N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is QFQJVLXUCRVNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-4-18(23)22-12-10-21(11-13-22)16-8-6-15(7-9-16)20-19(24)17-5-3-14-25-17/h3,5-9,14H,2,4,10-13H2,1H3,(H,20,24).
What are the key properties of N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butanoylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 655319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).