4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide

C20H20N4O3 — CID 108886897

IUPAC4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H20N4O3/c25-19(18-4-3-15-27-18)23-11-13-24(14-12-23)20(26)21-16-5-7-17(8-6-16)22-9-1-2-10-22/h1-10,15H,11-14H2,(H,21,26)
InChIKeyPXWOGFCBDAEMHJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.06
Rot. Bonds3

About 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 108886897) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
PubChem CID108886897
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H20N4O3/c25-19(18-4-3-15-27-18)23-11-13-24(14-12-23)20(26)21-16-5-7-17(8-6-16)22-9-1-2-10-22/h1-10,15H,11-14H2,(H,21,26)
InChIKeyPXWOGFCBDAEMHJ-UHFFFAOYSA-N
XLogP3.06
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
4-(furan-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667383
4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 47033198
[4-(2-chloro-4-pyrrol-1-ylphenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91674750
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108986173
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234137
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60545586
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 108527758
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-2-oxoacetamide
CID 108502139
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

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide (CID 108886897) is 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(-n2cccc2)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is PXWOGFCBDAEMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19(18-4-3-15-27-18)23-11-13-24(14-12-23)20(26)21-16-5-7-17(8-6-16)22-9-1-2-10-22/h1-10,15H,11-14H2,(H,21,26).
What are the key properties of 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108886897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).