4-oxo-4-piperidin-1-ylbutanoic acid

C9H15NO3 — CID 792860

IUPAC4-oxo-4-piperidin-1-ylbutanoic acid
SMILESO=C(O)CCC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO3/c11-8(4-5-9(12)13)10-6-2-1-3-7-10/h1-7H2,(H,12,13)
InChIKeySMBUFGWVLVTFDO-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.86
Rot. Bonds3

About 4-oxo-4-piperidin-1-ylbutanoic acid

4-oxo-4-piperidin-1-ylbutanoic acid (PubChem CID 792860) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-oxo-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-oxo-4-piperidin-1-ylbutanoic acid
PubChem CID792860
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-oxo-4-piperidin-1-ylbutanoic acid
SMILESO=C(O)CCC(=O)N1CCCCC1
InChIInChI=1S/C9H15NO3/c11-8(4-5-9(12)13)10-6-2-1-3-7-10/h1-7H2,(H,12,13)
InChIKeySMBUFGWVLVTFDO-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-piperidin-1-ylbutanoic acid?
The IUPAC name of 4-oxo-4-piperidin-1-ylbutanoic acid (CID 792860) is 4-oxo-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 4-oxo-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for 4-oxo-4-piperidin-1-ylbutanoic acid is O=C(O)CCC(=O)N1CCCCC1.
What is the InChIKey of 4-oxo-4-piperidin-1-ylbutanoic acid?
The InChIKey is SMBUFGWVLVTFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(4-5-9(12)13)10-6-2-1-3-7-10/h1-7H2,(H,12,13).
What are the key properties of 4-oxo-4-piperidin-1-ylbutanoic acid?
4-oxo-4-piperidin-1-ylbutanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 792860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).