5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid

C17H22N2O4 — CID 892450

IUPAC5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4/c20-15(5-4-6-16(21)22)18-14-9-7-13(8-10-14)17(23)19-11-2-1-3-12-19/h7-10H,1-6,11-12H2,(H,18,20)(H,21,22)
InChIKeyFHECIBOLTZDLFJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.51
Rot. Bonds6

About 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid

5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid (PubChem CID 892450) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid
PubChem CID892450
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4/c20-15(5-4-6-16(21)22)18-14-9-7-13(8-10-14)17(23)19-11-2-1-3-12-19/h7-10H,1-6,11-12H2,(H,18,20)(H,21,22)
InChIKeyFHECIBOLTZDLFJ-UHFFFAOYSA-N
XLogP2.51
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid?
The IUPAC name of 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid (CID 892450) is 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid is O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid?
The InChIKey is FHECIBOLTZDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(5-4-6-16(21)22)18-14-9-7-13(8-10-14)17(23)19-11-2-1-3-12-19/h7-10H,1-6,11-12H2,(H,18,20)(H,21,22).
What are the key properties of 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid?
5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid has a molecular weight of 318.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[4-(piperidine-1-carbonyl)anilino]pentanoic acid is sourced from PubChem (CID 892450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).