1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid

C16H21NO4 — CID 106741791

IUPAC1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC(C(=O)N1CCC(C(=O)O)CC1C)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-11-10-13(16(19)20)8-9-17(11)15(18)14(21-2)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,19,20)
InChIKeyRLCGBZOMFOGRNY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds4

About 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid

1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741791) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106741791
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC(C(=O)N1CCC(C(=O)O)CC1C)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-11-10-13(16(19)20)8-9-17(11)15(18)14(21-2)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,19,20)
InChIKeyRLCGBZOMFOGRNY-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid (CID 106741791) is 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid is COC(C(=O)N1CCC(C(=O)O)CC1C)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is RLCGBZOMFOGRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-10-13(16(19)20)8-9-17(11)15(18)14(21-2)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid?
1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).