tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate

C24H30N2O4 — CID 59373082

IUPACtert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)26-15-13-25(14-16-26)17-18-29-21-11-9-20(10-12-21)22(27)19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3
InChIKeyNHARCCQLPANFNQ-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.85
Rot. Bonds6

About tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate (PubChem CID 59373082) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate
PubChem CID59373082
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nametert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOc2ccc(C(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)26-15-13-25(14-16-26)17-18-29-21-11-9-20(10-12-21)22(27)19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3
InChIKeyNHARCCQLPANFNQ-UHFFFAOYSA-N
XLogP3.85
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-[4-(hydroxymethyl)phenoxy]ethyl]piperazine-1-carboxylate
CID 164578198
1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
CID 59372963
tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate
CID 46594465
tert-butyl 4-[2-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56515172
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
tert-butyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 66847563
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[3-(3-bromophenoxy)propyl]piperazine-1-carboxylate
CID 91759017
tert-butyl 4-(3-anilino-3-oxopropyl)piperazine-1-carboxylate
CID 52579913
tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
CID 77144706
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 4-[2-[3-(2-bromo-4-methoxycarbonylphenoxy)phenoxy]ethyl]piperazine-1-carboxylate
CID 171082680

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate (CID 59373082) is tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCOc2ccc(C(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate?
The InChIKey is NHARCCQLPANFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)26-15-13-25(14-16-26)17-18-29-21-11-9-20(10-12-21)22(27)19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-benzoylphenoxy)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 59373082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).