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

C16H20ClNO3 — CID 62215948

IUPAC3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClNO3/c17-14-4-1-13(2-5-14)11-15(19)18-9-7-12(8-10-18)3-6-16(20)21/h1-2,4-5,12H,3,6-11H2,(H,20,21)
InChIKeyZAOVVFOVLSONQG-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.99
Rot. Bonds5

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

3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid (PubChem CID 62215948) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
PubChem CID62215948
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClNO3/c17-14-4-1-13(2-5-14)11-15(19)18-9-7-12(8-10-18)3-6-16(20)21/h1-2,4-5,12H,3,6-11H2,(H,20,21)
InChIKeyZAOVVFOVLSONQG-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

3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62217825
1-[4-(aminooxymethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 39382607
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]butanoic acid
CID 119134742
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 71060557
2-(4-chlorophenyl)-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119720794
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
3-[1-(4-chloro-2-fluorobenzoyl)piperidin-4-yl]propanoic acid
CID 62218001

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid (CID 62215948) is 3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid?
The InChIKey is ZAOVVFOVLSONQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-4-1-13(2-5-14)11-15(19)18-9-7-12(8-10-18)3-6-16(20)21/h1-2,4-5,12H,3,6-11H2,(H,20,21).
What are the key properties of 3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid?
3-[1-[2-(4-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-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62215948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).