3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid

C16H20ClNO3 — CID 62217825

IUPAC3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClNO3/c17-14-4-2-1-3-13(14)11-15(19)18-9-7-12(8-10-18)5-6-16(20)21/h1-4,12H,5-11H2,(H,20,21)
InChIKeyWBXVYDYCGXDVSQ-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.99
Rot. Bonds5

About 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid

3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid (PubChem CID 62217825) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
PubChem CID62217825
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClNO3/c17-14-4-2-1-3-13(14)11-15(19)18-9-7-12(8-10-18)5-6-16(20)21/h1-4,12H,5-11H2,(H,20,21)
InChIKeyWBXVYDYCGXDVSQ-UHFFFAOYSA-N
XLogP2.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62215948
2-(2-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746322
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
CID 63869215
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151004
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108932983

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid (CID 62217825) is 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid?
The InChIKey is WBXVYDYCGXDVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-4-2-1-3-13(14)11-15(19)18-9-7-12(8-10-18)5-6-16(20)21/h1-4,12H,5-11H2,(H,20,21).
What are the key properties of 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid?
3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid has a molecular weight of 309.79 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62217825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).