1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid

C15H19ClN2O4 — CID 82163433

IUPAC1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid
SMILESO=C(COc1ccccc1Cl)NCN1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19ClN2O4/c16-12-5-1-2-6-13(12)22-9-14(19)17-10-18-7-3-4-11(8-18)15(20)21/h1-2,5-6,11H,3-4,7-10H2,(H,17,19)(H,20,21)
InChIKeyBKUIYEQZIXTGRY-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.59
Rot. Bonds6

About 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid

1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid (PubChem CID 82163433) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid
PubChem CID82163433
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid
SMILESO=C(COc1ccccc1Cl)NCN1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19ClN2O4/c16-12-5-1-2-6-13(12)22-9-14(19)17-10-18-7-3-4-11(8-18)15(20)21/h1-2,5-6,11H,3-4,7-10H2,(H,17,19)(H,20,21)
InChIKeyBKUIYEQZIXTGRY-UHFFFAOYSA-N
XLogP1.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-3-carboxylic acid
CID 82163424
2-(2-chlorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026861
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
1-[(3-methylbutanoylamino)methyl]piperidine-3-carboxylic acid
CID 82163406
N-(azepane-1-carbothioyl)-2-(2-chlorophenoxy)acetamide
CID 920702
2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide
CID 920664
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
(3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24905028

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid (CID 82163433) is 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid is O=C(COc1ccccc1Cl)NCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid?
The InChIKey is BKUIYEQZIXTGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c16-12-5-1-2-6-13(12)22-9-14(19)17-10-18-7-3-4-11(8-18)15(20)21/h1-2,5-6,11H,3-4,7-10H2,(H,17,19)(H,20,21).
What are the key properties of 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid?
1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid has a molecular weight of 326.78 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82163433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).