ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate

C18H26N2O4 — CID 59382289

IUPACethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H26N2O4/c1-5-24-17(23)20-10-8-19(9-11-20)16(22)13-6-7-15(21)14(12-13)18(2,3)4/h6-7,12,21H,5,8-11H2,1-4H3
InChIKeyVUICHTFAWIXBQN-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.60
Rot. Bonds2

About ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate

ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate (PubChem CID 59382289) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate
PubChem CID59382289
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nameethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H26N2O4/c1-5-24-17(23)20-10-8-19(9-11-20)16(22)13-6-7-15(21)14(12-13)18(2,3)4/h6-7,12,21H,5,8-11H2,1-4H3
InChIKeyVUICHTFAWIXBQN-UHFFFAOYSA-N
XLogP2.60
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-tert-butylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110798584
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
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ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate
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ethyl 4-(3-sulfanylbenzoyl)piperazine-1-carboxylate
CID 107877787
ethyl 4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808962
ethyl 4-[3-(dimethylsulfamoyl)-4-methylbenzoyl]piperazine-1-carboxylate
CID 110295888
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
ethyl 4-(9-oxofluorene-2-carbonyl)piperazine-1-carboxylate
CID 17446072
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate (CID 59382289) is ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(O)c(C(C)(C)C)c2)CC1.
What is the InChIKey of ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate?
The InChIKey is VUICHTFAWIXBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-24-17(23)20-10-8-19(9-11-20)16(22)13-6-7-15(21)14(12-13)18(2,3)4/h6-7,12,21H,5,8-11H2,1-4H3.
What are the key properties of ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate?
ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 59382289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).