2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid

C15H18ClNO4 — CID 63869215

IUPAC2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClNO4/c16-13-4-2-1-3-11(13)9-14(18)17-7-5-12(6-8-17)21-10-15(19)20/h1-4,12H,5-10H2,(H,19,20)
InChIKeyKERZVPNSSBANSW-UHFFFAOYSA-N
MW311.76 g/mol
LogP1.97
Rot. Bonds5

About 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63869215) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
PubChem CID63869215
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C15H18ClNO4/c16-13-4-2-1-3-11(13)9-14(18)17-7-5-12(6-8-17)21-10-15(19)20/h1-4,12H,5-10H2,(H,19,20)
InChIKeyKERZVPNSSBANSW-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62217825
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616293
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
1-[4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166412778
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 91625072
2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 97038805

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid (CID 63869215) is 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is KERZVPNSSBANSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-13-4-2-1-3-11(13)9-14(18)17-7-5-12(6-8-17)21-10-15(19)20/h1-4,12H,5-10H2,(H,19,20).
What are the key properties of 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 311.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63869215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).