1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid

C15H18ClNO4 — CID 106742122

IUPAC1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)COc1ccccc1Cl
InChIInChI=1S/C15H18ClNO4/c1-10-8-11(15(19)20)6-7-17(10)14(18)9-21-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyGGSZOTGHIPXCNG-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid

1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742122) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106742122
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)COc1ccccc1Cl
InChIInChI=1S/C15H18ClNO4/c1-10-8-11(15(19)20)6-7-17(10)14(18)9-21-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyGGSZOTGHIPXCNG-UHFFFAOYSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid (CID 106742122) is 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)COc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is GGSZOTGHIPXCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-10-8-11(15(19)20)6-7-17(10)14(18)9-21-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid?
1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).