phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate

C18H18N2O4 — CID 108568141

IUPACphenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C18H18N2O4/c21-16-9-5-4-8-15(16)17(22)19-10-12-20(13-11-19)18(23)24-14-6-2-1-3-7-14/h1-9,21H,10-13H2
InChIKeyHJEPTHKFRMKHAR-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.35
Rot. Bonds2

About phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate

phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate (PubChem CID 108568141) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
PubChem CID108568141
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namephenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C18H18N2O4/c21-16-9-5-4-8-15(16)17(22)19-10-12-20(13-11-19)18(23)24-14-6-2-1-3-7-14/h1-9,21H,10-13H2
InChIKeyHJEPTHKFRMKHAR-UHFFFAOYSA-N
XLogP2.35
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568153
phenyl 4-sulfamoylpiperazine-1-carboxylate
CID 61132871
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805
phenyl 4-(2,4-difluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110809187
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784
phenyl 4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazine-1-carboxylate
CID 110803594
phenyl 4-(3,4-dichlorobenzoyl)piperazine-1-carboxylate
CID 108567662
phenyl 4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxylate
CID 110347064
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate (CID 108568141) is phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate?
The InChIKey is HJEPTHKFRMKHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-16-9-5-4-8-15(16)17(22)19-10-12-20(13-11-19)18(23)24-14-6-2-1-3-7-14/h1-9,21H,10-13H2.
What are the key properties of phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate?
phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108568141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).