methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate

C13H24N2O4 — CID 143083898

IUPACmethyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C(C)(C)C(C)(C)O)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,13(3,4)18)10(16)14-6-8-15(9-7-14)11(17)19-5/h18H,6-9H2,1-5H3
InChIKeyKYTXXYUVBSVXPR-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.69
Rot. Bonds2

About methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate

methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate (PubChem CID 143083898) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate
PubChem CID143083898
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C(C)(C)C(C)(C)O)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,13(3,4)18)10(16)14-6-8-15(9-7-14)11(17)19-5/h18H,6-9H2,1-5H3
InChIKeyKYTXXYUVBSVXPR-UHFFFAOYSA-N
XLogP0.69
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate
CID 54916371
methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
CID 110810861
methyl 4-(3-amino-3-methylbutanoyl)piperazine-1-carboxylate
CID 64677969
methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate
CID 70950413
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
methyl piperazin-4-ium-1-carboxylate
CID 6992848
CID 123683302
CID 123683302
methyl morpholine-4-carboxylate
CID 12575354
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
methyl 4-(3-methoxypropyl)piperazine-1-carboxylate
CID 113073390
methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
CID 110818476
tetramethyl 4,7-dioxa-1,10,13,16,21,24-hexazabicyclo[8.8.8]hexacosane-13,16,21,24-tetracarboxylate
CID 21316321

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate (CID 143083898) is methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)C(C)(C)C(C)(C)O)CC1.
What is the InChIKey of methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate?
The InChIKey is KYTXXYUVBSVXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,13(3,4)18)10(16)14-6-8-15(9-7-14)11(17)19-5/h18H,6-9H2,1-5H3.
What are the key properties of methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate?
methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 143083898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).