phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate

C22H21N3O3 — CID 110347064

IUPACphenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C22H21N3O3/c26-21(18-8-10-19(11-9-18)23-12-4-5-13-23)24-14-16-25(17-15-24)22(27)28-20-6-2-1-3-7-20/h1-13H,14-17H2
InChIKeySZSODRZIVLUOFH-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.43
Rot. Bonds3

About phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate

phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate (PubChem CID 110347064) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate
PubChem CID110347064
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namephenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C22H21N3O3/c26-21(18-8-10-19(11-9-18)23-12-4-5-13-23)24-14-16-25(17-15-24)22(27)28-20-6-2-1-3-7-20/h1-13H,14-17H2
InChIKeySZSODRZIVLUOFH-UHFFFAOYSA-N
XLogP3.43
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 9266970
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate
CID 108567662
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
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-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45338237
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108533978
2-phenyl-1-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108545585
phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568141

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate (CID 110347064) is phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate?
The InChIKey is SZSODRZIVLUOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-21(18-8-10-19(11-9-18)23-12-4-5-13-23)24-14-16-25(17-15-24)22(27)28-20-6-2-1-3-7-20/h1-13H,14-17H2.
What are the key properties of phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate?
phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110347064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).