2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid

C15H18ClNO4 — CID 78979812

IUPAC2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClNO4/c16-12-2-1-3-13(9-12)21-10-14(18)17-6-4-11(5-7-17)8-15(19)20/h1-3,9,11H,4-8,10H2,(H,19,20)
InChIKeyNRZOYPSGBDVLCM-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid

2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid (PubChem CID 78979812) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
PubChem CID78979812
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H18ClNO4/c16-12-2-1-3-13(9-12)21-10-14(18)17-6-4-11(5-7-17)8-15(19)20/h1-3,9,11H,4-8,10H2,(H,19,20)
InChIKeyNRZOYPSGBDVLCM-UHFFFAOYSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
2-[1-[2-(3-nitrophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119177958
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]acetic acid
CID 43521222
1-(4-chloro-3-methylpiperidin-1-yl)-2-(3-chlorophenoxy)ethanone
CID 114683193
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371114
N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349122
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
CID 119178015
2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119178255
2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582
1-[3-(2-bromoethyl)piperidin-1-yl]-2-(3-chlorophenoxy)ethanone
CID 80669972
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid (CID 78979812) is 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)COc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is NRZOYPSGBDVLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-12-2-1-3-13(9-12)21-10-14(18)17-6-4-11(5-7-17)8-15(19)20/h1-3,9,11H,4-8,10H2,(H,19,20).
What are the key properties of 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 311.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 78979812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).