N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide

C19H21N3O3 — CID 112984587

IUPACN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)C1CC1
InChIInChI=1S/C19H21N3O3/c23-18(14-3-4-14)20-15-5-7-16(8-6-15)21-9-11-22(12-10-21)19(24)17-2-1-13-25-17/h1-2,5-8,13-14H,3-4,9-12H2,(H,20,23)
InChIKeyKQWWPENPGYVFDC-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.59
Rot. Bonds4

About N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide

N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 112984587) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID112984587
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)C1CC1
InChIInChI=1S/C19H21N3O3/c23-18(14-3-4-14)20-15-5-7-16(8-6-15)21-9-11-22(12-10-21)19(24)17-2-1-13-25-17/h1-2,5-8,13-14H,3-4,9-12H2,(H,20,23)
InChIKeyKQWWPENPGYVFDC-UHFFFAOYSA-N
XLogP2.59
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.59
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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Related Compounds

1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 46467939
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108986173
N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 113029548
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 108527758
4-(furan-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667383
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide
CID 3775662
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860
2-bromo-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 2231786
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide (CID 112984587) is N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)C1CC1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is KQWWPENPGYVFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(14-3-4-14)20-15-5-7-16(8-6-15)21-9-11-22(12-10-21)19(24)17-2-1-13-25-17/h1-2,5-8,13-14H,3-4,9-12H2,(H,20,23).
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide?
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 112984587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).