6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid

C14H25NO3 — CID 83052295

IUPAC6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
SMILESCCCC1CCCCN1C(=O)CCCCC(=O)O
InChIInChI=1S/C14H25NO3/c1-2-7-12-8-5-6-11-15(12)13(16)9-3-4-10-14(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyYWIZDIIAWAYZEA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.81
Rot. Bonds7

About 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid

6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid (PubChem CID 83052295) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
PubChem CID83052295
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
SMILESCCCC1CCCCN1C(=O)CCCCC(=O)O
InChIInChI=1S/C14H25NO3/c1-2-7-12-8-5-6-11-15(12)13(16)9-3-4-10-14(17)18/h12H,2-11H2,1H3,(H,17,18)
InChIKeyYWIZDIIAWAYZEA-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
1-[2-(chloromethyl)piperidin-1-yl]octan-1-one
CID 63395144
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid?
The IUPAC name of 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid (CID 83052295) is 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid?
The canonical SMILES for 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid is CCCC1CCCCN1C(=O)CCCCC(=O)O.
What is the InChIKey of 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid?
The InChIKey is YWIZDIIAWAYZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-7-12-8-5-6-11-15(12)13(16)9-3-4-10-14(17)18/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid?
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid is sourced from PubChem (CID 83052295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).