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

C19H20N2O4 — CID 108568153

IUPACbenzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C19H20N2O4/c22-17-9-5-4-8-16(17)18(23)20-10-12-21(13-11-20)19(24)25-14-15-6-2-1-3-7-15/h1-9,22H,10-14H2
InChIKeyDLLPUMAXFDJCQX-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.49
Rot. Bonds3

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

benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate (PubChem CID 108568153) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
PubChem CID108568153
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namebenzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C19H20N2O4/c22-17-9-5-4-8-16(17)18(23)20-10-12-21(13-11-20)19(24)25-14-15-6-2-1-3-7-15/h1-9,22H,10-14H2
InChIKeyDLLPUMAXFDJCQX-UHFFFAOYSA-N
XLogP2.49
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(2-iodobenzoyl)piperazine-1-carboxylate
CID 108567896
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569496
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl piperidine-1-carboxylate
CID 158057698
phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568141
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110798888
benzyl 4-(3-oxopropyl)piperazine-1-carboxylate
CID 87851629
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate (CID 108568153) is benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate?
The InChIKey is DLLPUMAXFDJCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17-9-5-4-8-16(17)18(23)20-10-12-21(13-11-20)19(24)25-14-15-6-2-1-3-7-15/h1-9,22H,10-14H2.
What are the key properties of benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate?
benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108568153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).