3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid

C28H27NO4 — CID 68879746

IUPAC3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C28H27NO4/c30-25(31)16-17-29-18-23(27(32)21-12-6-2-7-13-21)26(20-10-4-1-5-11-20)24(19-29)28(33)22-14-8-3-9-15-22/h1-15,23-24,26H,16-19H2,(H,30,31)
InChIKeyOOZOILPOZIBBNR-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.56
Rot. Bonds8

About 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid

3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid (PubChem CID 68879746) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid
PubChem CID68879746
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C28H27NO4/c30-25(31)16-17-29-18-23(27(32)21-12-6-2-7-13-21)26(20-10-4-1-5-11-20)24(19-29)28(33)22-14-8-3-9-15-22/h1-15,23-24,26H,16-19H2,(H,30,31)
InChIKeyOOZOILPOZIBBNR-UHFFFAOYSA-N
XLogP4.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid (CID 68879746) is 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid is O=C(O)CCN1CC(C(=O)c2ccccc2)C(c2ccccc2)C(C(=O)c2ccccc2)C1.
What is the InChIKey of 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid?
The InChIKey is OOZOILPOZIBBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c30-25(31)16-17-29-18-23(27(32)21-12-6-2-7-13-21)26(20-10-4-1-5-11-20)24(19-29)28(33)22-14-8-3-9-15-22/h1-15,23-24,26H,16-19H2,(H,30,31).
What are the key properties of 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid?
3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid has a molecular weight of 441.53 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibenzoyl-4-phenylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 68879746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).