5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid

C17H22N2O4 — CID 727281

IUPAC5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O4/c20-15(9-6-10-16(21)22)18-14-8-3-2-7-13(14)17(23)19-11-4-1-5-12-19/h2-3,7-8H,1,4-6,9-12H2,(H,18,20)(H,21,22)
InChIKeyNRTVVWXITIPWIQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.51
Rot. Bonds6

About 5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid

5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid (PubChem CID 727281) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
PubChem CID727281
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O4/c20-15(9-6-10-16(21)22)18-14-8-3-2-7-13(14)17(23)19-11-4-1-5-12-19/h2-3,7-8H,1,4-6,9-12H2,(H,18,20)(H,21,22)
InChIKeyNRTVVWXITIPWIQ-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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Related Compounds

N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119684692
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 1366453
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1322793
4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide
CID 26905508

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid?
The IUPAC name of 5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid (CID 727281) is 5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid is O=C(O)CCCC(=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid?
The InChIKey is NRTVVWXITIPWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(9-6-10-16(21)22)18-14-8-3-2-7-13(14)17(23)19-11-4-1-5-12-19/h2-3,7-8H,1,4-6,9-12H2,(H,18,20)(H,21,22).
What are the key properties of 5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid?
5-oxo-5-[2-(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-[2-(piperidine-1-carbonyl)anilino]pentanoic acid is sourced from PubChem (CID 727281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).