methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate

C18H24N2O5 — CID 171625870

IUPACmethyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(OC(=O)c2ccccc2)C[C@@H](C)N1C(=O)C(C)C
InChIInChI=1S/C18H24N2O5/c1-12(2)16(21)20-13(3)10-19(11-15(20)18(23)24-4)25-17(22)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyVDHOCJXYLZJJLJ-UKRRQHHQSA-N
MW348.40 g/mol
LogP1.49
Rot. Bonds4

About methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate

methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate (PubChem CID 171625870) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate
PubChem CID171625870
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(OC(=O)c2ccccc2)C[C@@H](C)N1C(=O)C(C)C
InChIInChI=1S/C18H24N2O5/c1-12(2)16(21)20-13(3)10-19(11-15(20)18(23)24-4)25-17(22)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-/m1/s1
InChIKeyVDHOCJXYLZJJLJ-UKRRQHHQSA-N
XLogP1.49
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R,6R)-4-(benzenesulfonyl)-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate
CID 175949061
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CID 53468019
dimethyl (3S,6S)-1,2-dibenzoyldiazinane-3,6-dicarboxylate
CID 10341495
ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
CID 145121615
methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate
CID 141060724
dimethyl (2R,4S)-1-(1-phenylethyl)azetidine-2,4-dicarboxylate
CID 54060167
(3,3,5,5-tetramethylpiperazin-1-yl) benzoate
CID 18629568
methyl 4-benzoylsulfanyl-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxylate
CID 123354705
methyl (3S)-2-benzoyloxy-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
CID 163630364
[[1-(1-bromopiperidin-4-yl)-2-methoxy-2-oxoethyl]amino] benzoate
CID 123912811
[(7S)-5-amino-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl] benzoate
CID 139297112
methyl (2S,3aS,7aS)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 11162004

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate (CID 171625870) is methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate is COC(=O)[C@H]1CN(OC(=O)c2ccccc2)C[C@@H](C)N1C(=O)C(C)C.
What is the InChIKey of methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate?
The InChIKey is VDHOCJXYLZJJLJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(2)16(21)20-13(3)10-19(11-15(20)18(23)24-4)25-17(22)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate?
methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-4-benzoyloxy-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxylate is sourced from PubChem (CID 171625870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).