N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C21H19FN4O4 — CID 52627337

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H19FN4O4/c22-15-3-6-17(7-4-15)30-19-8-5-16(14-23-19)24-21(28)26-11-9-25(10-12-26)20(27)18-2-1-13-29-18/h1-8,13-14H,9-12H2,(H,24,28)
InChIKeyOQPIKRGVXHUYOH-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.60
Rot. Bonds4

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 52627337) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID52627337
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H19FN4O4/c22-15-3-6-17(7-4-15)30-19-8-5-16(14-23-19)24-21(28)26-11-9-25(10-12-26)20(27)18-2-1-13-29-18/h1-8,13-14H,9-12H2,(H,24,28)
InChIKeyOQPIKRGVXHUYOH-UHFFFAOYSA-N
XLogP3.60
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-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-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168857
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 55743828
4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 47033198
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
4-(3-fluorobenzoyl)-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide
CID 25095036
1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86994318
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234137
4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 108886897
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
4-(4-fluorobenzoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 112829411

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 52627337) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is OQPIKRGVXHUYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c22-15-3-6-17(7-4-15)30-19-8-5-16(14-23-19)24-21(28)26-11-9-25(10-12-26)20(27)18-2-1-13-29-18/h1-8,13-14H,9-12H2,(H,24,28).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 52627337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).