1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one

C23H25N3O3 — CID 46342737

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n2cccc2)cc1
InChIInChI=1S/C23H25N3O3/c1-18-6-8-19(9-7-18)20(24-10-2-3-11-24)17-22(27)25-12-14-26(15-13-25)23(28)21-5-4-16-29-21/h2-11,16,20H,12-15,17H2,1H3
InChIKeyKDRSOMXEFXPASU-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.35
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one

1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 46342737) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
PubChem CID46342737
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n2cccc2)cc1
InChIInChI=1S/C23H25N3O3/c1-18-6-8-19(9-7-18)20(24-10-2-3-11-24)17-22(27)25-12-14-26(15-13-25)23(28)21-5-4-16-29-21/h2-11,16,20H,12-15,17H2,1H3
InChIKeyKDRSOMXEFXPASU-UHFFFAOYSA-N
XLogP3.35
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one with MolForge

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Related Compounds

(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 92709241
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108544711
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123987
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709038
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-(2-methylphenyl)butane-1,4-dione
CID 110414523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one (CID 46342737) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one is Cc1ccc(C(CC(=O)N2CCN(C(=O)c3ccco3)CC2)n2cccc2)cc1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is KDRSOMXEFXPASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-18-6-8-19(9-7-18)20(24-10-2-3-11-24)17-22(27)25-12-14-26(15-13-25)23(28)21-5-4-16-29-21/h2-11,16,20H,12-15,17H2,1H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 391.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 46342737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).