3-(1-benzoylpiperidin-4-yl)propanoic acid

C15H19NO3 — CID 19108454

IUPAC3-(1-benzoylpiperidin-4-yl)propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c17-14(18)7-6-12-8-10-16(11-9-12)15(19)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,18)
InChIKeyOCUKEGTXSFDMCN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.40
Rot. Bonds4

About 3-(1-benzoylpiperidin-4-yl)propanoic acid

3-(1-benzoylpiperidin-4-yl)propanoic acid (PubChem CID 19108454) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(1-benzoylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-benzoylpiperidin-4-yl)propanoic acid
PubChem CID19108454
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(1-benzoylpiperidin-4-yl)propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c17-14(18)7-6-12-8-10-16(11-9-12)15(19)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,18)
InChIKeyOCUKEGTXSFDMCN-UHFFFAOYSA-N
XLogP2.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzoylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-benzoylpiperidin-4-yl)propanoic acid (CID 19108454) is 3-(1-benzoylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-benzoylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-benzoylpiperidin-4-yl)propanoic acid is O=C(O)CCC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(1-benzoylpiperidin-4-yl)propanoic acid?
The InChIKey is OCUKEGTXSFDMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)7-6-12-8-10-16(11-9-12)15(19)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,18).
What are the key properties of 3-(1-benzoylpiperidin-4-yl)propanoic acid?
3-(1-benzoylpiperidin-4-yl)propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzoylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 19108454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).