3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid

C15H19NO4 — CID 66624873

IUPAC3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)OCc2ccccc2)C1C(=O)O
InChIInChI=1S/C15H19NO4/c1-11-6-5-9-16(13(11)14(17)18)15(19)20-10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,17,18)
InChIKeyNLLKKUUMSBCHLC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.51
Rot. Bonds3

About 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid

3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 66624873) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
PubChem CID66624873
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)OCc2ccccc2)C1C(=O)O
InChIInChI=1S/C15H19NO4/c1-11-6-5-9-16(13(11)14(17)18)15(19)20-10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,17,18)
InChIKeyNLLKKUUMSBCHLC-UHFFFAOYSA-N
XLogP2.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-(2-bromoacetyl)-3-methylpiperidine-1-carboxylate
CID 107072731
(2R,3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carbothioic S-acid
CID 131712678
benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
CID 67432326
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
[2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium
CID 57025836
(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 58051374
benzyl 4-hydroxy-2-methylazepane-1-carboxylate
CID 118230323
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 102266655
benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate
CID 68500864

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid (CID 66624873) is 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)OCc2ccccc2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is NLLKKUUMSBCHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-6-5-9-16(13(11)14(17)18)15(19)20-10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,17,18).
What are the key properties of 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid?
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 66624873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).