tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate

C19H22N2O4 — CID 18009110

IUPACtert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccc3ccc(O)cc23)C(=O)C1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-18(24)20-9-10-21(17(23)12-20)16-6-4-5-13-7-8-14(22)11-15(13)16/h4-8,11,22H,9-10,12H2,1-3H3
InChIKeyBNOBDBAAVHNVRK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.13
Rot. Bonds1

About tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate

tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate (PubChem CID 18009110) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate
PubChem CID18009110
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nametert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccc3ccc(O)cc23)C(=O)C1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-18(24)20-9-10-21(17(23)12-20)16-6-4-5-13-7-8-14(22)11-15(13)16/h4-8,11,22H,9-10,12H2,1-3H3
InChIKeyBNOBDBAAVHNVRK-UHFFFAOYSA-N
XLogP3.13
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342
tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate
CID 11688552
tert-butyl 4-[2-[2-(hydroxymethyl)phenoxy]phenyl]-3-oxopiperazine-1-carboxylate
CID 18691017
tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3-oxopiperazine-1-carboxylate
CID 140876667
tert-butyl 4-[5-(3-hydroxypyrrolidin-1-yl)-2-methylphenyl]-3-oxopiperazine-1-carboxylate
CID 68729639
tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate
CID 175785787
tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
CID 121260807
tert-butyl 4-[5-(2,4-dioxo-1,3-diazinan-1-yl)naphthalen-2-yl]piperazine-1-carboxylate
CID 171572299
tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
CID 162624837
tert-butyl 3-oxo-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 171482295
[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]-3-pyridinyl]boronic acid
CID 171482287
tert-butyl 4-[7-(1-butoxyethenyl)naphthalen-1-yl]piperazine-1-carboxylate
CID 69420855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate (CID 18009110) is tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cccc3ccc(O)cc23)C(=O)C1.
What is the InChIKey of tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate?
The InChIKey is BNOBDBAAVHNVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,3)25-18(24)20-9-10-21(17(23)12-20)16-6-4-5-13-7-8-14(22)11-15(13)16/h4-8,11,22H,9-10,12H2,1-3H3.
What are the key properties of tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate?
tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 18009110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).