[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

C20H19N3O3 — CID 32532603

IUPAC[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C20H19N3O3/c24-19(16-4-3-5-18(14-16)21-7-1-2-8-21)22-9-11-23(12-10-22)20(25)17-6-13-26-15-17/h1-8,13-15H,9-12H2
InChIKeyWFTSRRIOYBWXQJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.67
Rot. Bonds3

About [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 32532603) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
PubChem CID32532603
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C20H19N3O3/c24-19(16-4-3-5-18(14-16)21-7-1-2-8-21)22-9-11-23(12-10-22)20(25)17-6-13-26-15-17/h1-8,13-15H,9-12H2
InChIKeyWFTSRRIOYBWXQJ-UHFFFAOYSA-N
XLogP2.67
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 39346910
(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 175337539
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17402282
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 25355501
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 32532341
2-[4-(furan-3-carbonyl)piperazine-1-carbonyl]fluoren-9-one
CID 32534624
(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 166245161

Frequently Asked Questions

What is the IUPAC name of [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone (CID 32532603) is [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone is O=C(c1ccoc1)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1.
What is the InChIKey of [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is WFTSRRIOYBWXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(16-4-3-5-18(14-16)21-7-1-2-8-21)22-9-11-23(12-10-22)20(25)17-6-13-26-15-17/h1-8,13-15H,9-12H2.
What are the key properties of [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 349.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 32532603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).