6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid

C15H26N2O3 — CID 63168060

IUPAC6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c18-14(6-2-3-7-15(19)20)17-11-8-13(12-17)16-9-4-1-5-10-16/h13H,1-12H2,(H,19,20)
InChIKeyITFAANNHGHKADD-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.72
Rot. Bonds6

About 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid

6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid (PubChem CID 63168060) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
PubChem CID63168060
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c18-14(6-2-3-7-15(19)20)17-11-8-13(12-17)16-9-4-1-5-10-16/h13H,1-12H2,(H,19,20)
InChIKeyITFAANNHGHKADD-UHFFFAOYSA-N
XLogP1.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 63168015
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-oxohexanoic acid
CID 63150889
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-oxopentanoic acid
CID 54875608
5-oxo-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pentanoic acid
CID 54916584
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-oxohexanoic acid
CID 43620227
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 79192941

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid?
The IUPAC name of 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid (CID 63168060) is 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid?
The canonical SMILES for 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid is O=C(O)CCCCC(=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid?
The InChIKey is ITFAANNHGHKADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(6-2-3-7-15(19)20)17-11-8-13(12-17)16-9-4-1-5-10-16/h13H,1-12H2,(H,19,20).
What are the key properties of 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid?
6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid is sourced from PubChem (CID 63168060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).