piperidin-4-one;propanoic acid

C8H15NO3 — CID 19044824

IUPACpiperidin-4-one;propanoic acid
SMILESCCC(=O)O.O=C1CCNCC1
InChIInChI=1S/C5H9NO.C3H6O2/c7-5-1-3-6-4-2-5;1-2-3(4)5/h6H,1-4H2;2H2,1H3,(H,4,5)
InChIKeyVFHCMKPXJBCLNC-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.42
Rot. Bonds1

About piperidin-4-one;propanoic acid

piperidin-4-one;propanoic acid (PubChem CID 19044824) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is piperidin-4-one;propanoic acid.

Molecular Properties

Compound Namepiperidin-4-one;propanoic acid
PubChem CID19044824
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namepiperidin-4-one;propanoic acid
SMILESCCC(=O)O.O=C1CCNCC1
InChIInChI=1S/C5H9NO.C3H6O2/c7-5-1-3-6-4-2-5;1-2-3(4)5/h6H,1-4H2;2H2,1H3,(H,4,5)
InChIKeyVFHCMKPXJBCLNC-UHFFFAOYSA-N
XLogP0.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-one;propanoic acid?
The IUPAC name of piperidin-4-one;propanoic acid (CID 19044824) is piperidin-4-one;propanoic acid.
What is the SMILES notation for piperidin-4-one;propanoic acid?
The canonical SMILES for piperidin-4-one;propanoic acid is CCC(=O)O.O=C1CCNCC1.
What is the InChIKey of piperidin-4-one;propanoic acid?
The InChIKey is VFHCMKPXJBCLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H6O2/c7-5-1-3-6-4-2-5;1-2-3(4)5/h6H,1-4H2;2H2,1H3,(H,4,5).
What are the key properties of piperidin-4-one;propanoic acid?
piperidin-4-one;propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-one;propanoic acid is sourced from PubChem (CID 19044824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).