methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate

C15H19NO4 — CID 103957429

IUPACmethyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C15H19NO4/c1-10-9-11(6-7-13(10)17)14(18)16-8-4-3-5-12(16)15(19)20-2/h6-7,9,12,17H,3-5,8H2,1-2H3/t12-/m1/s1
InChIKeyVDFSYUNYHJZSJA-GFCCVEGCSA-N
MW277.32 g/mol
LogP1.87
Rot. Bonds2

About methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate

methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate (PubChem CID 103957429) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
PubChem CID103957429
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C15H19NO4/c1-10-9-11(6-7-13(10)17)14(18)16-8-4-3-5-12(16)15(19)20-2/h6-7,9,12,17H,3-5,8H2,1-2H3/t12-/m1/s1
InChIKeyVDFSYUNYHJZSJA-GFCCVEGCSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627850
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl (2R)-1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxylate
CID 113257736
(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951831
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate (CID 103957429) is methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)c(C)c1.
What is the InChIKey of methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate?
The InChIKey is VDFSYUNYHJZSJA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-9-11(6-7-13(10)17)14(18)16-8-4-3-5-12(16)15(19)20-2/h6-7,9,12,17H,3-5,8H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate?
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 103957429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).