2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate

C15H20N2O4 — CID 67084957

IUPAC2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2ccc(O)cc2)C(=O)C1
InChIInChI=1S/C15H20N2O4/c1-11(2)10-21-15(20)16-7-8-17(14(19)9-16)12-3-5-13(18)6-4-12/h3-6,11,18H,7-10H2,1-2H3
InChIKeyYDIMDRGYRHXRTD-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.83
Rot. Bonds3

About 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate

2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate (PubChem CID 67084957) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate
PubChem CID67084957
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2ccc(O)cc2)C(=O)C1
InChIInChI=1S/C15H20N2O4/c1-11(2)10-21-15(20)16-7-8-17(14(19)9-16)12-3-5-13(18)6-4-12/h3-6,11,18H,7-10H2,1-2H3
InChIKeyYDIMDRGYRHXRTD-UHFFFAOYSA-N
XLogP1.83
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate (CID 67084957) is 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate is CC(C)COC(=O)N1CCN(c2ccc(O)cc2)C(=O)C1.
What is the InChIKey of 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate?
The InChIKey is YDIMDRGYRHXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(2)10-21-15(20)16-7-8-17(14(19)9-16)12-3-5-13(18)6-4-12/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate?
2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(4-hydroxyphenyl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 67084957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).