methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate

C15H19NO4 — CID 115535987

IUPACmethyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H19NO4/c1-20-15(19)13-7-2-3-8-16(13)14(18)10-11-5-4-6-12(17)9-11/h4-6,9,13,17H,2-3,7-8,10H2,1H3/t13-/m1/s1
InChIKeyKGDFECJNXYCHSG-CYBMUJFWSA-N
MW277.32 g/mol
LogP1.49
Rot. Bonds3

About methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate (PubChem CID 115535987) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
PubChem CID115535987
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H19NO4/c1-20-15(19)13-7-2-3-8-16(13)14(18)10-11-5-4-6-12(17)9-11/h4-6,9,13,17H,2-3,7-8,10H2,1H3/t13-/m1/s1
InChIKeyKGDFECJNXYCHSG-CYBMUJFWSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
methyl 1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylate
CID 78991759
methyl (2S)-1-[2-[3-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidine-2-carboxylate
CID 125139186
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
CID 79835771
2-(3-hydroxyphenyl)-1-[2-(2-hydroxypropyl)azepan-1-yl]ethanone
CID 79540436
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80678156
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate (CID 115535987) is methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)Cc1cccc(O)c1.
What is the InChIKey of methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate?
The InChIKey is KGDFECJNXYCHSG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-15(19)13-7-2-3-8-16(13)14(18)10-11-5-4-6-12(17)9-11/h4-6,9,13,17H,2-3,7-8,10H2,1H3/t13-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 115535987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).