2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid

C16H21NO3 — CID 154252055

IUPAC2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid
SMILESCC(=O)N1CCC(c2ccc(C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C16H21NO3/c1-11(16(19)20)13-3-5-14(6-4-13)15-7-9-17(10-8-15)12(2)18/h3-6,11,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyAXUOLNCIBSXJSM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.60
Rot. Bonds3

About 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid

2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid (PubChem CID 154252055) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid
PubChem CID154252055
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid
SMILESCC(=O)N1CCC(c2ccc(C(C)C(=O)O)cc2)CC1
InChIInChI=1S/C16H21NO3/c1-11(16(19)20)13-3-5-14(6-4-13)15-7-9-17(10-8-15)12(2)18/h3-6,11,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyAXUOLNCIBSXJSM-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid (CID 154252055) is 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid is CC(=O)N1CCC(c2ccc(C(C)C(=O)O)cc2)CC1.
What is the InChIKey of 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid?
The InChIKey is AXUOLNCIBSXJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(16(19)20)13-3-5-14(6-4-13)15-7-9-17(10-8-15)12(2)18/h3-6,11,15H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid?
2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid is sourced from PubChem (CID 154252055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).