cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone

C20H23N3O2 — CID 110803719

IUPACcyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(16-4-3-5-16)22-12-14-23(15-13-22)20(25)17-6-8-18(9-7-17)21-10-1-2-11-21/h1-2,6-11,16H,3-5,12-15H2
InChIKeyQPDUAIAZKNSSGV-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.56
Rot. Bonds3

About cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone

cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110803719) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
PubChem CID110803719
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Namecyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(16-4-3-5-16)22-12-14-23(15-13-22)20(25)17-6-8-18(9-7-17)21-10-1-2-11-21/h1-2,6-11,16H,3-5,12-15H2
InChIKeyQPDUAIAZKNSSGV-UHFFFAOYSA-N
XLogP2.56
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110441029
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122334710
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone (CID 110803719) is cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is QPDUAIAZKNSSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(16-4-3-5-16)22-12-14-23(15-13-22)20(25)17-6-8-18(9-7-17)21-10-1-2-11-21/h1-2,6-11,16H,3-5,12-15H2.
What are the key properties of cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110803719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).