5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide

C18H23N3O3 — CID 119392648

IUPAC5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C18H23N3O3/c22-18(20-9-4-12-21-13-10-19-11-14-21)16-7-8-17(24-16)23-15-5-2-1-3-6-15/h1-3,5-8,19H,4,9-14H2,(H,20,22)
InChIKeyQPOXDBFITMUEBC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.10
Rot. Bonds7

About 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide

5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide (PubChem CID 119392648) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
PubChem CID119392648
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C18H23N3O3/c22-18(20-9-4-12-21-13-10-19-11-14-21)16-7-8-17(24-16)23-15-5-2-1-3-6-15/h1-3,5-8,19H,4,9-14H2,(H,20,22)
InChIKeyQPOXDBFITMUEBC-UHFFFAOYSA-N
XLogP2.10
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-5-phenoxyfuran-2-carboxamide
CID 127265058
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846
5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 119392043
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 90651689
5-phenyl-N-(3-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 119392506
3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
CID 119393897
3-(phenoxymethyl)-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide
CID 119393656
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-phenoxyfuran-2-carboxamide
CID 70658082
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389

Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide (CID 119392648) is 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide is O=C(NCCCN1CCNCC1)c1ccc(Oc2ccccc2)o1.
What is the InChIKey of 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide?
The InChIKey is QPOXDBFITMUEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-18(20-9-4-12-21-13-10-19-11-14-21)16-7-8-17(24-16)23-15-5-2-1-3-6-15/h1-3,5-8,19H,4,9-14H2,(H,20,22).
What are the key properties of 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide?
5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 119392648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).