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

C28H25N3O2 — CID 108533783

IUPAC(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C28H25N3O2/c32-27(24-10-8-23(9-11-24)22-6-2-1-3-7-22)30-18-20-31(21-19-30)28(33)25-12-14-26(15-13-25)29-16-4-5-17-29/h1-17H,18-21H2
InChIKeySHYRMCJOXDFJNQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.74
Rot. Bonds4

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

(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone (PubChem CID 108533783) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is (4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
PubChem CID108533783
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C28H25N3O2/c32-27(24-10-8-23(9-11-24)22-6-2-1-3-7-22)30-18-20-31(21-19-30)28(33)25-12-14-26(15-13-25)29-16-4-5-17-29/h1-17H,18-21H2
InChIKeySHYRMCJOXDFJNQ-UHFFFAOYSA-N
XLogP4.74
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.74
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
4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45338237
phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate
CID 110347064
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
(4-phenylphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341423
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
2-phenyl-1-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108545585
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone (CID 108533783) is (4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of (4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is SHYRMCJOXDFJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c32-27(24-10-8-23(9-11-24)22-6-2-1-3-7-22)30-18-20-31(21-19-30)28(33)25-12-14-26(15-13-25)29-16-4-5-17-29/h1-17H,18-21H2.
What are the key properties of (4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone?
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 435.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 108533783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).