methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate

C17H23NO3 — CID 79835771

IUPACmethyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C17H23NO3/c1-12-7-8-13(2)14(10-12)11-16(19)18-9-5-4-6-15(18)17(20)21-3/h7-8,10,15H,4-6,9,11H2,1-3H3/t15-/m1/s1
InChIKeyUFHVTXGPIBAOJL-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.40
Rot. Bonds3

About methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate (PubChem CID 79835771) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
PubChem CID79835771
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C17H23NO3/c1-12-7-8-13(2)14(10-12)11-16(19)18-9-5-4-6-15(18)17(20)21-3/h7-8,10,15H,4-6,9,11H2,1-3H3/t15-/m1/s1
InChIKeyUFHVTXGPIBAOJL-OAHLLOKOSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (2R,4R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2,4-dicarboxylate
CID 125137319
methyl 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43410178
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl (2S)-1-[2-(7-methyl-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carboxylate
CID 171388451
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
methyl 1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylate
CID 78991759
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
2-(2,5-dimethylphenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260901
(2S)-1-[2-(2-methoxy-5-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137099
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate (CID 79835771) is methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate?
The InChIKey is UFHVTXGPIBAOJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-7-8-13(2)14(10-12)11-16(19)18-9-5-4-6-15(18)17(20)21-3/h7-8,10,15H,4-6,9,11H2,1-3H3/t15-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 79835771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).