methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate

C17H23NO3 — CID 79835578

IUPACmethyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)CCc1ccccc1C
InChIInChI=1S/C17H23NO3/c1-13-7-3-4-8-14(13)10-11-16(19)18-12-6-5-9-15(18)17(20)21-2/h3-4,7-8,15H,5-6,9-12H2,1-2H3/t15-/m1/s1
InChIKeyNPCNPHPGMOFLAB-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.48
Rot. Bonds4

About methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate

methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate (PubChem CID 79835578) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
PubChem CID79835578
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)CCc1ccccc1C
InChIInChI=1S/C17H23NO3/c1-13-7-3-4-8-14(13)10-11-16(19)18-12-6-5-9-15(18)17(20)21-2/h3-4,7-8,15H,5-6,9-12H2,1-2H3/t15-/m1/s1
InChIKeyNPCNPHPGMOFLAB-OAHLLOKOSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
1-[2-(chloromethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639223
1-[2-(aminomethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639941
methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
CID 79835771
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 124569843
1-[(2S)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 129356966
(2R,3R)-2-methyl-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122115329
methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 43423525
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
methyl (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 14013749
methyl 1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylate
CID 78991759
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate (CID 79835578) is methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)CCc1ccccc1C.
What is the InChIKey of methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate?
The InChIKey is NPCNPHPGMOFLAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-7-3-4-8-14(13)10-11-16(19)18-12-6-5-9-15(18)17(20)21-2/h3-4,7-8,15H,5-6,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate?
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 79835578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).