4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid

C16H20N2O4 — CID 1080151

IUPAC4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H20N2O4/c19-14(8-9-15(20)21)17-13-6-4-12(5-7-13)16(22)18-10-2-1-3-11-18/h4-7H,1-3,8-11H2,(H,17,19)(H,20,21)
InChIKeyDIRQBDZMMQBQLA-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.12
Rot. Bonds5

About 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid

4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid (PubChem CID 1080151) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid
PubChem CID1080151
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H20N2O4/c19-14(8-9-15(20)21)17-13-6-4-12(5-7-13)16(22)18-10-2-1-3-11-18/h4-7H,1-3,8-11H2,(H,17,19)(H,20,21)
InChIKeyDIRQBDZMMQBQLA-UHFFFAOYSA-N
XLogP2.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid?
The IUPAC name of 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid (CID 1080151) is 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid?
The canonical SMILES for 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid is O=C(O)CCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid?
The InChIKey is DIRQBDZMMQBQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14(8-9-15(20)21)17-13-6-4-12(5-7-13)16(22)18-10-2-1-3-11-18/h4-7H,1-3,8-11H2,(H,17,19)(H,20,21).
What are the key properties of 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid?
4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid has a molecular weight of 304.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[4-(piperidine-1-carbonyl)anilino]butanoic acid is sourced from PubChem (CID 1080151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).